Basic information
- CAS
2702-79-6- Standard SMILES
O=C1CCCCC1Cc1ccc(Cl)cc1- InChIKey
UNJQQZUSORSFMS-UHFFFAOYSA-N- Molecular formula
- C13H15ClO
- Average molar mass
- 222.71 g/mol
- Monoisotopic mass
- 222.08114278
Names & identifiers
- Preferred name
- Cyclohexanone, 2-p-chlorobenzyl-
- IUPAC
- 2-[(4-chlorophenyl)methyl]cyclohexan-1-one
- English name
- 2-(p-Chlorobenzyl)cyclohexanone
- Molecular formula
- C13H15ClO
- Molecular weight
- 222.71
Names & synonyms
2-p-ChlorobenzylcyclohexanoneBRN 2693681Cyclohexanone, 2-p-chlorobenzyl-Cyclohexanone, 2-((4-chlorophenyl)methyl)-2702-79-64-07-00-01061 (Beilstein Handbook Reference)RefChem:3356052-[(4-chlorophenyl)methyl]cyclohexan-1-one2-(4-CHLOROBENZYL)CYCLOHEXANONESCHEMBL9147334DTXSID60949789UNJQQZUSORSFMS-UHFFFAOYSA-N
Show more names
2-(p-Chlorobenzyl)cyclohexanone2-[(4-Chlorophenyl)methyl]cyclohexanoneCyclohexanone, 2-[(4-chlorophenyl)methyl]-
AKOS010640915
Database identifiers
- CAS
2702-79-6- PubChem CID
- 200782
- DTXSID
DTXSID60949789- Nikkaji
- J72.715F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 139 · 139-141 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 130 · 130-132 °C(Press: 0.2 Torr)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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