Basic information
- CAS
33433-85-1- Standard SMILES
O=C(O)Cc1ccc(C2CCCCC2)c(Cl)c1- InChIKey
NOSBFRZPIIBRLZ-UHFFFAOYSA-N- Molecular formula
- C14H17ClO2
- Average molar mass
- 252.73 g/mol
- Monoisotopic mass
- 252.0917075
Names & identifiers
- Preferred name
- Benzeneacetic acid, 3-chloro-4-cyclohexyl-
- IUPAC
- 2-(3-chloro-4-cyclohexylphenyl)acetic acid
Names & synonyms
(3-Chloro-4-cyclohexylphenyl)acetic acidBRN 2283011Benzeneacetic acid, 3-chloro-4-cyclohexyl-33433-85-1Acetic acid, (3-chloro-4-cyclohexylphenyl)-DTXSID40187081RefChem:324135DTXCID50109572SCHEMBL3454286
Database identifiers
- CAS
33433-85-1- PubChem CID
- 214550
- DTXSID
DTXSID40187081
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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