4-Methylphenyl 3-chlorobenzoate
Basic information
- CAS
6280-49-5- Standard SMILES
Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1- InChIKey
GQGKQVFTYSXOPH-UHFFFAOYSA-N- Molecular formula
- C14H11ClO2
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0447573
Names & identifiers
- Preferred name
- 4-Methylphenyl 3-chlorobenzoate
- IUPAC
- (4-methylphenyl) 3-chlorobenzoate
Names & synonyms
6280-49-54-methylphenyl 3-chlorobenzoateBenzoic acid,3-chloro-, 4-methylphenyl ester(4-methylphenyl) 3-chlorobenzoate4-methylphenyl3-chlorobenzoateNSC11157Benzoic acid, 3-chloro-, 4-methylphenyl esterSCHEMBL14055341DTXSID80279050NSC-11157AKOS003496319AP-845/40883930
Database identifiers
- CAS
6280-49-5- PubChem CID
- 223476
- DTXSID
DTXSID80279050
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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