Mercury--tris(pentafluorophenyl)silyl (1/2)

CAS Number: 30431-03-9

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Fc(c(F)c(c([Si](c(c(F)c(c(F)c1F)F)c1F)c(c(F)c(c(F)c1F)F)c1F)c1F)F)c1F.Fc(c(F)c(c([Si](c(c(F)c(c(F)c1F)F)c1F)c(c(F)c(c(F)c1F)F)c1F)c1F)F)c1F.[Hg]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: high

Formula

Hg.C18F15Si.C18F15Si

Molecular Weight

529.254

Drug-likeness

-23.068

CAS

30431-03-9

InChI key

KQBCRQICXHREHS-UHFFFAOYSA-N

SMILES

Fc(c(F)c(c([Si](c(c(F)c(c(F)c1F)F)c1F)c(c(F)c(c(F)c1F)F)c1F)c1F)F)c1F.Fc(c(F)c(c([Si](c(c(F)c(c(F)c1F)F)c1F)c(c(F)c(c(F)c1F)F)c1F)c1F)F)c1F.[Hg]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: high | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	30431-03-9
Molecule Name	Mercury--tris(pentafluorophenyl)silyl (1/2)
Molecular Formula	Hg.C18F15Si.C18F15Si
SMILES	Fc(c(F)c(c([Si](c(c(F)c(c(F)c1F)F)c1F)c(c(F)c(c(F)c1F)F)c1F)c1F)F)c1F.Fc(c(F)c(c([Si](c(c(F)c(c(F)c1F)F)c1F)c(c(F)c(c(F)c1F)F)c1F)c1F)F)c1F.[Hg]
InChI	InChI=1S/2C18F15Si.Hg/c2*19-1-4(22)10(28)16(11(29)5(1)23)34(17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33;
InChI Key	KQBCRQICXHREHS-UHFFFAOYSA-N
CanonicalSyTyLFy	301be041869684cb
TotalMolweight	1259.1
Molecular Weight	529.254
MonoisotopicMass	528.952972
CLogP	5.661
CLogS	-7.955
TotalSurfaceArea	294.78
Drug-likeness	-23.068
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	polyhalo aromatic ring; polyhalo
Shape Index	0.32353
Molecula Flexibility	0.35091
Molecular Complexity	0.85805
Fragments	3
Non HAtoms	34
NonCHAtoms	16
Electronegative Atoms	15
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	26

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CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
100-07-2	high	high	low	C8H7O2Cl	170.595	-10.49	ChemrytIQ
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1000-91-5	none	none	high	C5H14OSi	118.251	-35.679	ChemrytIQ
100009-99-2	low	high	none	C21H25NO4	355.433	2.9337	ChemrytIQ
100-05-0	none	none	none	Cl.C6H4N3O2	150.117	-9.1371	ChemrytIQ
1000-69-7	high	none	low	C7H18SSn	252.996	-9.6969	ChemrytIQ
1000-86-8	none	none	none	C7H12	96.1723	-10.397	ChemrytIQ
10003-73-3	none	none	none	HCl.C7H10N2	122.17	-2.0712	ChemrytIQ
10001-82-8	none	none	none	C24H26N4O5S	482.559	9.4242	ChemrytIQ
100-19-6	none	none	none	C8H7NO3	165.148	-7.0365	ChemrytIQ
10002-37-6	none	none	none	C9H16N2O	168.239	-3.8085	ChemrytIQ
100033-12-3	none	none	none	C11H10N3O2Br	296.123	-13.354	ChemrytIQ
100011-01-6	none	none	none	C9H18O2	158.24	-2.3462	ChemrytIQ
10003-95-9	none	none	none	C10H18N2O17P4	562.146	-25.989	ChemrytIQ
100-99-2	none	none	low	C12H27Al	198.328	-22.009	ChemrytIQ
100005-01-4	none	none	high	C8H21BrSSi2	285.397	-52.815	ChemrytIQ
100-75-4	high	high	high	C5H10N2O	114.147	-0.86877	ChemrytIQ
1000-44-8	high	high	low	C7H7Cl	126.586	-8.5908	ChemrytIQ
1000017-92-4	none	none	none	C6H4NBr2Cl	285.366	-3.6	ChemrytIQ
1000-41-5	none	none	low	C10H18O	154.252	-9.05	ChemrytIQ
1000-70-0	none	low	high	C7H18N2Si2	186.406	-43.673	ChemrytIQ
1000335-27-2	none	none	none	C10H15N4OCl	242.709	0.81574	ChemrytIQ
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100-21-0	high	none	high	C8H6O4	166.132	-1.8442	ChemrytIQ
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10000-51-8	none	none	none	C14H15NO3	245.277	0.10503	ChemrytIQ
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100-26-5	none	none	none	C7H5NO4	167.12	-1.5746	ChemrytIQ
100-79-8	none	low	none	C6H12O3	132.158	-9.8672	ChemrytIQ
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1000269-68-0	none	none	none	C14H24N4	248.373	0.99367	ChemrytIQ
1000018-52-9	none	none	none	C11H12N2O2S2	268.36	1.3179	ChemrytIQ
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100010-00-2	none	none	none	C20H23NO5	357.405	-3.7157	ChemrytIQ
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