Basic information
- CAS
58880-42-5- Standard SMILES
CC(C)Cc1ccc(CC(=O)O)cc1Cl- InChIKey
BEDNWFVESJXIEG-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- Acetic acid, (3-chloro-4-isobutylphenyl)-
- IUPAC
- 2-[3-chloro-4-(2-methylpropyl)phenyl]acetic acid
- English name
- 3-Chloro-4-isobutylphenylacetic acid
- Molecular formula
- C12H15ClO2
- Molecular weight
- 226.7
Names & synonyms
58880-42-5TAI 254ACETIC ACID, (3-CHLORO-4-ISOBUTYLPHENYL)-(3-Chloro-4-isobutylphenyl)acetic acidBenzeneacetic acid, 3-chloro-4-(2-methylpropyl)-DTXSID70207589RefChem:316201DTXCID701300803-Chloro-4-isobutylphenylacetic acidDB-304543[3-CHLORO-4-(2-METHYLPROPYL)PHENYL]ACETIC ACIDTAI-254
Database identifiers
- CAS
58880-42-5- PubChem CID
- 42864
- DTXSID
DTXSID70207589- Nikkaji
- J79.198I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…