Cyclobutanecarboxylic acid, 1-(3-chloro-4-cyclohexylphenyl)-
Basic information
- CAS
26961-88-6- Standard SMILES
O=C(O)C1(c2ccc(C3CCCCC3)c(Cl)c2)CCC1- InChIKey
HKQZAYPFENZPCA-UHFFFAOYSA-N- Molecular formula
- C17H21ClO2
- Average molar mass
- 292.8 g/mol
- Monoisotopic mass
- 292.1230076
Names & identifiers
- Preferred name
- Cyclobutanecarboxylic acid, 1-(3-chloro-4-cyclohexylphenyl)-
- IUPAC
- 1-(3-chloro-4-cyclohexylphenyl)cyclobutane-1-carboxylic acid
Names & synonyms
TAI-286Cyclobutanecarboxylic acid, 1-(3-chloro-4-cyclohexylphenyl)-26961-88-6DTXSID70181451RefChem:334919DTXCID801039421-(3-chloro-4-cyclohexylphenyl)cyclobutane-1-carboxylic acid
Database identifiers
- CAS
26961-88-6- PubChem CID
- 213716
- DTXSID
DTXSID70181451
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
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