Isobutyl 4-chlorobenzoate
Basic information
- CAS
29234-88-6- Standard SMILES
CC(C)COC(=O)c1ccc(Cl)cc1- InChIKey
BWLDEQAGSZRTIV-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.0604073
Names & identifiers
- Preferred name
- Isobutyl 4-chlorobenzoate
- IUPAC
- 2-methylpropyl 4-chlorobenzoate
Names & synonyms
Isobutyl 4-chlorobenzoate29234-88-64-Chlorobenzoic acid, 2-methylpropyl ester2-methylpropyl 4-chlorobenzoateBenzoic acid,4-chloro-, 2-methylpropyl esterSCHEMBL6057138SCHEMBL11139006DTXSID40278584NSC8293BWLDEQAGSZRTIV-UHFFFAOYSA-NPARA CHLORO ISOBUTYLBENZOATENSC-8293
Show more names
Benzoic acid, 4-chloro, isobutyl esterDS-007184Q63392212
Database identifiers
- CAS
29234-88-6- PubChem CID
- 222376
- DTXSID
DTXSID40278584- Nikkaji
- J47.214J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…