Basic information
- CAS
26961-91-1- Standard SMILES
CC(C)Cc1ccc(C2(C(=O)O)CC2)cc1Cl- InChIKey
BXEAQQJRMLUDOH-UHFFFAOYSA-N- Molecular formula
- C14H17ClO2
- Average molar mass
- 252.73 g/mol
- Monoisotopic mass
- 252.0917075
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 1-(3-chloro-4-isobutylphenyl)-
- IUPAC
- 1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
Names & synonyms
TAI 27626961-91-1BRN 2273745CYCLOPROPANECARBOXYLIC ACID, 1-(3-CHLORO-4-ISOBUTYLPHENYL)-1-(3-Chloro-4-isobutylphenyl)cyclopropanecarboxylic acidDTXSID30181452Cyclopropanecarboxylic acid, 1-(3-chloro-4-(2-methylpropyl)phenyl)-RefChem:336227DTXCID401039431-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
Database identifiers
- CAS
26961-91-1- PubChem CID
- 33654
- DTXSID
DTXSID30181452
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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