4-Chlorobenzoic acid, 3-methylphenyl ester
(3-methylphenyl) 4-chlorobenzoate
Also Known As: 3-methylphenyl 4-chlorobenzoate|NCIOpen2_005771|(3-methylphenyl) 4-chlorobenzoate|Phenol,4-chloro-3-methyl-, 1-benzoate|4-Chlorobenzoic acid, 3-methylphenyl ester|4-Chlorobenzoic acid 3-methylphenyl ester|J1.186.746D
CAS: 85580-74-1
| Molecular Formula | C14H11ClO2 |
|---|---|
| Molecular Weight | 246.04475 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.04475 |
| Monoisotopic Mass | 246.04475 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 85580-74-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | GAUJZVXSFTUKEY-UHFFFAOYSA-N |
Product Overview
4-Chlorobenzoic acid, 3-methylphenyl ester (CAS 85580-74-1), with molecular formula C14H11ClO2 and molecular weight 246.04475 g/mol. IUPAC: (3-methylphenyl) 4-chlorobenzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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