4-Methylphenyl 3-nitrobenzoate
(4-methylphenyl) 3-nitrobenzoate
Also Known As: 4-methylphenyl 3-nitrobenzoate|Oprea1_031421|Oprea1_719119|(4-methylphenyl) 3-nitrobenzoate|3-nitro-benzoic acid p-tolyl ester|KS-00003UW6|m-Nitrobenzoesaeure-p-methylphenylester
CAS: 36718-39-5
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.06882 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Monoisotopic Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 36718-39-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | SMNPQMRIWHLJOX-UHFFFAOYSA-N |
Product Overview
4-Methylphenyl 3-nitrobenzoate (CAS 36718-39-5), with molecular formula C14H11NO4 and molecular weight 257.06882 g/mol. IUPAC: (4-methylphenyl) 3-nitrobenzoate.
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.
View MSDS →
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