CC(=O)C1=CC=C(C=C1)Cl
CAS: 99-91-2
Name: 1-(4-chlorophenyl)ethanone
SMILES: CC(=O)C1=CC=C(C=C1)Cl

Molecular Processing

Molecular formula
C8H7ClO
Molecular weight
154.6
Exact mass
154.0185
XLogP
2.54
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
41.46

Supplementary Information

InChIKey: BUZYGTVTZYSBCU-UHFFFAOYSA-N
Synonyms
4'-Chloroacetophenone99-91-21-(4-Chlorophenyl)ethanone4-ChloroacetophenoneP-CHLOROACETOPHENONEEthanone, 1-(4-chlorophenyl)-1-(4-Chlorophenyl)Ethan-1-OneUSAF DO-11-(4-Chlorophenyl)-ethanoneMethyl p-chlorophenyl ketonep-Chlorophenyl methyl ketoneZV4A71K303NSC-6115DTXSID1052668RefChem:169294DTXCID2031241202-800-74-AcetylchlorobenzeneAcetophenone, 4'-chloro-p-Chloracetophenonep-AcetylchlorobenzeneMethyl 4-chlorophenyl ketone4-Chlorophenyl methyl ketoneMFCD000006241-acetyl-4-chlorobenzeneCHEMBL608419238399-91-2HSDB 2088NSC 6115EINECS 202-800-7
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Involved in 254 reactions→

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