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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