2-Methylphenyl 2-chlorobenzoate
Basic information
- CAS
6279-32-9- Standard SMILES
Cc1ccccc1OC(=O)c1ccccc1Cl- InChIKey
CLKTWZOBPZLASR-UHFFFAOYSA-N- Molecular formula
- C14H11ClO2
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0447573
Names & identifiers
- Preferred name
- 2-Methylphenyl 2-chlorobenzoate
- IUPAC
- (2-methylphenyl) 2-chlorobenzoate
- English name
- Benzoic acid, 2-chloro-, 2-methylphenyl ester
- Molecular formula
- C14H11ClO2
- Molecular weight
- 246.69
Names & synonyms
2-Methylphenyl 2-chlorobenzoate6279-32-9DTXSID10279104RefChem:263918DTXCID60230260(2-methylphenyl)2-chlorobenzoateSCHEMBL158510392-Methylphenyl 2-chlorobenzoate #NSC11284NSC-11284AKOS0034960092-Chlorobenzoic acid, 2-methylphenyl ester
Show more names
Benzoic acid, 2-chloro-, 2-methylphenyl ester
Database identifiers
- CAS
6279-32-9- PubChem CID
- 223549
- DTXSID
DTXSID10279104
Properties
Computed structural properties
- XLogP
- 4.3
- 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
- 267
Physicochemical properties
- Boiling point
- 184 °C · 184 °C(Press: 15 Torr)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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