4-Chloro-m-cresyl benzoate
Basic information
- CAS
84196-13-4- Standard SMILES
Cc1cc(OC(=O)c2ccccc2)ccc1Cl- InChIKey
NXMBTIAESILOAO-UHFFFAOYSA-N- Molecular formula
- C14H11ClO2
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0447573
Names & identifiers
- Preferred name
- 4-Chloro-m-cresyl benzoate
- IUPAC
- (4-chloro-3-methylphenyl) benzoate
- English name
- 4-chloro-m-cresyl benzoate
- Molecular formula
- C14H11ClO2
- Molecular weight
- 246.68894
Names & synonyms
4-Chloro-m-cresyl benzoate84196-13-44-CHLORO-3-METHYLPHENYL BENZOATEEINECS 282-422-7SCHEMBL173557404-CHLORO-M-TOLYL BENZOATE4-CHLORO-M-TOLYL-BENZOATENXMBTIAESILOAO-UHFFFAOYSA-NDTXSID201004455MFCD00000563AKOS003042950SY574245
Show more names
4-CHLORO-M-TOLYL BENZOATE)Benzoic acid 4-chloro-3-methylphenyl esterBenzoic acid 3-methyl-4-chlorophenyl ester
NS00123923
Database identifiers
- CAS
84196-13-4- PubChem CID
- 2724033
- DTXSID
DTXSID201004455- EC Number
- 282-422-7
- Nikkaji
- J297.549A
Properties
Computed structural properties
- XLogP
- 4.4
- 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
- 261
Chemistry & industry
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Compound notes
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