Basic information
- CAS
137521-79-0- Standard SMILES
CC(C)(C)COC(=O)c1ccc(Cl)cc1- InChIKey
QTLVTXLJUYHSEO-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- Benzoic acid, 4-chloro-, 2,2-dimethylpropyl ester
- IUPAC
- 2,2-dimethylpropyl 4-chlorobenzoate
Names & synonyms
137521-79-0Benzoic acid, 4-chloro-, 2,2-dimethylpropyl esterDTXSID20343082RefChem:327550DTXCID802941622,2-dimethylpropyl 4-chlorobenzoateNeopentyl 4-chlorobenzoate #SCHEMBL811551QTLVTXLJUYHSEO-UHFFFAOYSA-N4-Chlorobenzoic acid, 2,2-dimethylpropyl ester
Database identifiers
- CAS
137521-79-0- PubChem CID
- 587256
- DTXSID
DTXSID20343082- Nikkaji
- J953.380J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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