Holmium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-??O3,??O5)-

CAS Number: 18323-97-2

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CC(C)(C)/C(/[O-])=C/C(C(C(C(F)(F)F)(F)F)(F)F)=O.CC(C)(C)/C(/[O-])=C/C(C(C(C(F)(F)F)(F)F)(F)F)=O.CC(C)(C)/C(/[O-])=C/C(C(C(C(F)(F)F)(F)F)(F)F)=O.[Ho+3]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: none

Formula

Ho.C10H10O2F7.C10H10O2F7.C10H10O2F7

Molecular Weight

295.173

Drug-likeness

-100.53

CAS

18323-97-2

InChI key

WWXLUYSYSVCJRZ-UHFFFAOYSA-K

SMILES

CC(C)(C)/C(/[O-])=C/C(C(C(C(F)(F)F)(F)F)(F)F)=O.CC(C)(C)/C(/[O-])=C/C(C(C(C(F)(F)F)(F)F)(F)F)=O.CC(C)(C)/C(/[O-])=C/C(C(C(C(F)(F)F)(F)F)(F)F)=O.[Ho+3]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: none | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	18323-97-2
Molecule Name	Holmium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-??O3,??O5)-
Molecular Formula	Ho.C10H10O2F7.C10H10O2F7.C10H10O2F7
SMILES	CC(C)(C)/C(/[O-])=C/C(C(C(C(F)(F)F)(F)F)(F)F)=O.CC(C)(C)/C(/[O-])=C/C(C(C(C(F)(F)F)(F)F)(F)F)=O.CC(C)(C)/C(/[O-])=C/C(C(C(C(F)(F)F)(F)F)(F)F)=O.[Ho+3]
InChI	InChI=1S/3C10H11F7O2.Ho/c31-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h34,18H,1-3H3;/q;;;+3/p-3
InChI Key	WWXLUYSYSVCJRZ-UHFFFAOYSA-K
CanonicalSyTyLFy	a9c17733cb4fb54d
TotalMolweight	1050.45
Molecular Weight	295.173
MonoisotopicMass	295.056901
CLogP	1.9333
CLogS	-3.932
H Acceptors	2
TotalSurfaceArea	186.36
Relative PSA	0.1466
PolarSurfaceArea	40.13
Drug-likeness	-100.53
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.47368
Molecula Flexibility	0.70554
Molecular Complexity	0.7177
Fragments	4
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Sp3Atoms	8
Symmetricatoms	6

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CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
1000018-49-4	none	none	none	C14H19NO5S	313.373	2.5797	ChemrytIQ
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100018-96-0	high	high	none	C20H39O2I	438.428	-31.232	ChemrytIQ
1000-78-8	high	low	none	C11H24N2	184.326	-10.254	ChemrytIQ
100031-88-7	none	none	high	C10H30O3Si4	310.689	-53.619	ChemrytIQ
100007-87-2	none	none	none	C16H9N2OBr	325.164	0.88714	ChemrytIQ
100-90-3	none	none	none	C14H16N4O3S	320.372	4.7301	ChemrytIQ
1000289-40-6	none	none	none	C7H4N2Br2S	307.997	-2.2608	ChemrytIQ
100004-81-7	none	none	none	C13H11NO3	229.234	-1.3547	ChemrytIQ
100010-21-7	none	none	none	C14H21NO	219.327	-4.2999	ChemrytIQ
100-96-9	high	none	none	C7H10N2O	138.169	-1.7412	ChemrytIQ
1000025-59-1	none	none	none	C14H11O3Cl	262.691	-1.449	ChemrytIQ
1000-16-4	none	none	none	C13H30NO3P	279.359	-34.244	ChemrytIQ
1000068-25-6	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ
100004-79-3	none	none	none	C13H11NO2	213.235	-1.5864	ChemrytIQ
10002-97-8	none	none	none	C18H30O2	278.434	0.24997	ChemrytIQ
100007-67-8	high	none	low	C5H7OClF2	156.559	-12.702	ChemrytIQ
100-81-2	none	none	none	C8H11N	121.182	-2.1005	ChemrytIQ
10001-43-1	none	none	none	C15H18N6O2	314.348	4.1828	ChemrytIQ
1000068-42-7	none	none	none	C10H11NO3BrFS	324.169	-2.2263	ChemrytIQ
100-27-6	low	none	none	C8H9NO3	167.163	-9.2735	ChemrytIQ
1000018-44-9	none	none	none	C13H16N2O5	280.279	-2.3885	ChemrytIQ
100-67-4	none	none	none	K.C6H5O	93.1047	-2.2548	ChemrytIQ
100-34-5	none	none	none	Cl.C6H5N2	105.12	-4.365	ChemrytIQ
100-92-5	none	none	none	C11H17N	163.263	1.1672	ChemrytIQ
100-65-2	high	none	none	C6H7NO	109.128	-1.548	ChemrytIQ
1000017-97-9	none	none	none	C10H11N3O2	205.216	-1.3937	ChemrytIQ
1000-77-7	high	high	none	HCl.C6H15NO6S2	261.318	1.5333	ChemrytIQ
1000-90-4	none	none	none	Zn.C4H7OS2.C4H7OS2	135.231	-2.7683	ChemrytIQ
100-54-9	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
100020-83-5	none	none	low	C7H11O3B	153.972	-20.814	ChemrytIQ
1000018-10-9	none	none	none	C7H8N2OBr2	295.962	-5.2121	ChemrytIQ
1000198-76-4	none	none	none	C11H12NF3	215.217	-5.8988	ChemrytIQ
100-79-8	none	low	none	C6H12O3	132.158	-9.8672	ChemrytIQ
10-31-2001	none	none	none	C21H28NO6P	421.428	-10.542	ChemrytIQ
100-61-8	high	none	none	C7H9N	107.155	-0.23765	ChemrytIQ
1000018-26-7	none	none	none	C16H23NO3	277.363	-15.052	ChemrytIQ
1000152-84-0	none	none	none	C6H2NBr2F3	304.891	-10.75	ChemrytIQ
1000-50-6	none	none	high	C6H15ClSi	150.724	-84.768	ChemrytIQ
1000017-92-4	none	none	none	C6H4NBr2Cl	285.366	-3.6	ChemrytIQ
100031-92-3	none	none	high	C10H30OSi4	278.691	-53.619	ChemrytIQ
1000-28-8	none	none	none	C6H3OF11	300.067	-44.343	ChemrytIQ
100-18-5	none	none	none	C12H18	162.275	-2.5088	ChemrytIQ
1000-70-0	none	low	high	C7H18N2Si2	186.406	-43.673	ChemrytIQ
100033-12-3	none	none	none	C11H10N3O2Br	296.123	-13.354	ChemrytIQ
100-74-3	high	none	high	C6H13NO	115.175	3.7593	ChemrytIQ
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10002-37-6	none	none	none	C9H16N2O	168.239	-3.8085	ChemrytIQ
100-70-9	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
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100004-93-1	none	high	none	C16H11NO2	249.268	-1.5746	ChemrytIQ
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100010-99-9	none	none	none	C11H24O2	188.31	-23.185	ChemrytIQ
10000-51-8	none	none	none	C14H15NO3	245.277	0.10503	ChemrytIQ
100-63-0	high	high	none	C6H8N2	108.144	-4.3224	ChemrytIQ
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