C1CCC(=O)C(C1)Cl
CAS: 822-87-7
Name: 2-chlorocyclohexan-1-one
SMILES: C1CCC(=O)C(C1)Cl

Molecular Processing

Molecular formula
C6H9ClO
Molecular weight
132.59
Exact mass
132.0342
XLogP
1.74
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
33.12

Supplementary Information

InChIKey: CCHNWURRBFGQCD-UHFFFAOYSA-N
Synonyme
2-Chlorocyclohexanone822-87-7CYCLOHEXANONE, 2-CHLORO-alpha-ChlorocyclohexanoneDTXSID10215301134E5H2KVNSC-12439DTXCID001530RefChem:86468212-505-52-chlorocyclohexan-1-oneMFCD00001626.alpha.-Chlorocyclohexanone2-Chlorocyclohexonone2-chloro-cyclohexanone2-chloro-1-cyclohexanoneEINECS 212-505-5NSC 12439UNII-1134E5H2KV2-chlorocyclohexanon2-chlorocylohexanone2-chloro cyclohexanoneWLN: L6VTJ BG2-chloro-cyclohexan-1-one2-Chlorocyclohexanone, 98%SCHEMBL186361CHEMBL3183260SCHEMBL28048391NSC12439Tox21_200522
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