(2-Bromo-2-phenylethenyl)(tetrachloro)-lambda~5~-phosphane

CAS Number: 62266-88-0
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ClP(C=C(c1ccccc1)Br)(Cl)(Cl)Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H6BrCl4P
Molecular Weight
354.826
Drug-likeness
-22.105
CAS
62266-88-0
InChI key
JLFCUOUKLSNOMW-UHFFFAOYSA-N
SMILES
ClP(C=C(c1ccccc1)Br)(Cl)(Cl)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 62266-88-0
Molecule Name (2-Bromo-2-phenylethenyl)(tetrachloro)-lambda~5~-phosphane
Molecular Formula C8H6BrCl4P
SMILES ClP(C=C(c1ccccc1)Br)(Cl)(Cl)Cl
InChI InChI=1S/C8H6BrCl4P/c9-8(6-14(10,11,12)13)7-4-2-1-3-5-7/h1-6H
InChI Key JLFCUOUKLSNOMW-UHFFFAOYSA-N
CanonicalSyTyLFy 2d7bc81aff899108
TotalMolweight 354.826
Molecular Weight 354.826
MonoisotopicMass 351.814456
CLogP 2.3255
CLogS -4.469
TotalSurfaceArea 198.53
Drug-likeness -22.105
Mutagenic none
Tumorigenic none
Reproductive Effective high
Irritant none
Nasty Functions Cl,Br,I on N,O,P,S,Se,I
Shape Index 0.57143
Molecula Flexibility 0.35105
Molecular Complexity 0.46544
Fragments 1
Non HAtoms 14
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Symmetricatoms 5

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