(2-Chlorophenyl)(furan-2-yl)methanone

CAS Number: 60907-83-7
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O=C(c1ccco1)c(cccc1)c1Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H7O2Cl
Molecular Weight
206.628
Drug-likeness
-0.084567
CAS
60907-83-7
InChI key
SMKFIBDYMRDIRD-UHFFFAOYSA-N
SMILES
O=C(c1ccco1)c(cccc1)c1Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 60907-83-7
Molecule Name (2-Chlorophenyl)(furan-2-yl)methanone
Molecular Formula C11H7O2Cl
SMILES O=C(c1ccco1)c(cccc1)c1Cl
InChI InChI=1S/C11H7ClO2/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h1-7H
InChI Key SMKFIBDYMRDIRD-UHFFFAOYSA-N
CanonicalSyTyLFy 28d59cdbb241c930
TotalMolweight 206.628
Molecular Weight 206.628
MonoisotopicMass 206.013457
CLogP 2.5843
CLogS -4.134
H Acceptors 2
TotalSurfaceArea 155.88
Relative PSA 0.17417
PolarSurfaceArea 30.21
Drug-likeness -0.084567
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecula Flexibility 0.53433
Molecular Complexity 0.70075
Fragments 1
Non HAtoms 14
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 11

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