Benzoic acid, 3,5-dinitro, 1-phenylethyl ester
1-phenylethyl 3,5-dinitrobenzoate
Also Known As: ACMC-20aphb|1-phenylethyl 3,5-dinitrobenzoate|(S)-(+)-1-Phenylethyl 3,5-dinitrobenzoate|Benzoic acid, 3,5-dinitro, 1-phenylethyl ester|(R)-(-)-1-Phenylethyl 3,5-dinitrobenzoate|[(1R)-1-phenylethyl] 3,5-dinitrobenzoate|[(1S)-1-phenylethyl] 3,5-dinitrobenzoate|J2.269.077I|3,5-Dinitrobenzoic acid alpha-methylbenzyl ester
| Molecular Formula | C15H12N2O6 |
|---|---|
| Molecular Weight | 316.06955 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.06955 |
| Monoisotopic Mass | 316.06955 |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 3205-33-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YATKDADIXNBBCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3,5-dinitro, 1-phenylethyl ester (CAS 3205-33-2), with molecular formula C15H12N2O6 and molecular weight 316.06955 g/mol. IUPAC: 1-phenylethyl 3,5-dinitrobenzoate.
Benzoic acid, 3,5-dinitro, 1-phenylethyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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