(1,1-Dichloroethoxy)ethene

CAS Number: 141265-81-8
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CC(OC=C)(Cl)Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
C4H6OCl2
Molecular Weight
140.997
Drug-likeness
-8.8742
CAS
141265-81-8
InChI key
GLSSKBHUHZEZSL-UHFFFAOYSA-N
SMILES
CC(OC=C)(Cl)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 141265-81-8
Molecule Name (1,1-Dichloroethoxy)ethene
Molecular Formula C4H6OCl2
SMILES CC(OC=C)(Cl)Cl
InChI InChI=1S/C4H6Cl2O/c1-3-7-4(2,5)6/h3H,1H2,2H3
InChI Key GLSSKBHUHZEZSL-UHFFFAOYSA-N
CanonicalSyTyLFy fb953f5d3fb268a4
TotalMolweight 140.997
Molecular Weight 140.997
MonoisotopicMass 139.979569
CLogP 1.7475
CLogS -2.363
H Acceptors 1
TotalSurfaceArea 101.55
Relative PSA 0.098474
PolarSurfaceArea 9.23
Drug-likeness -8.8742
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant high
Shape Index 0.71429
Molecula Flexibility 0.72115
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 7
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Sp3Atoms 3
Symmetricatoms 1

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