(1,2,2,2-Tetrachloroethyl)phosphane

CAS Number: 44494-01-1
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PC(C(Cl)(Cl)Cl)Cl
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: high
Formula
C2H3Cl4P
Molecular Weight
199.832
Drug-likeness
-6.8715
CAS
44494-01-1
InChI key
YGXIXLDXKVURTO-PVQJCKRUSA-N
SMILES
PC(C(Cl)(Cl)Cl)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 44494-01-1
Molecule Name (1,2,2,2-Tetrachloroethyl)phosphane
Molecular Formula C2H3Cl4P
SMILES PC(C(Cl)(Cl)Cl)Cl
InChI InChI=1S/C2H3Cl4P/c3-1(7)2(4,5)6/h1H,7H2/t1-/m1/s1
InChI Key YGXIXLDXKVURTO-PVQJCKRUSA-N
CanonicalSyTyLFy 83a6e68a5abc5c7d
TotalMolweight 199.832
Molecular Weight 199.832
MonoisotopicMass 197.872645
CLogP 2.4832
CLogS -2.692
TotalSurfaceArea 91.34
Drug-likeness -6.8715
Mutagenic high
Tumorigenic low
Reproductive Effective high
Irritant high
Shape Index 0.57143
Molecula Flexibility 0.7159
Molecular Complexity 0.76753
Fragments 1
Non HAtoms 7
NonCHAtoms 5
Electronegative Atoms 5
StereoCenters 1
Rotatable Bond 1
Sp3Atoms 3
Symmetricatoms 2
StereoCon racemate

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