Basic information
- CAS
26961-87-5- Standard SMILES
O=C(O)C1(c2ccc(C3CCCCC3)c(Cl)c2)CC1- InChIKey
GQPHFVLGXFRQSF-UHFFFAOYSA-N- Molecular formula
- C16H19ClO2
- Average molar mass
- 278.77 g/mol
- Monoisotopic mass
- 278.1073575
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 1-(3-chloro-4-cyclohexylphenyl)-
- IUPAC
- 1-(3-chloro-4-cyclohexylphenyl)cyclopropane-1-carboxylic acid
Names & synonyms
1-(3-Chloro-4-cyclohexylphenyl)cyclopropane-1-carboxylic acidTAI 12926961-87-5BRN 2283452CYCLOPROPANECARBOXYLIC ACID, 1-(3-CHLORO-4-CYCLOHEXYLPHENYL)-DTXSID10181450RefChem:336225DTXCID20103941
Database identifiers
- CAS
26961-87-5- PubChem CID
- 33653
- DTXSID
DTXSID10181450
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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