(2-Methyl-4,6-dinitrophenyl) benzoate
Basic information
- CAS
4102-92-5- Standard SMILES
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)c1ccccc1- InChIKey
YUDBQBRGLHGEOM-UHFFFAOYSA-N- Molecular formula
- C14H10N2O6
- Average molar mass
- 302.24 g/mol
- Monoisotopic mass
- 302.05388604
Names & identifiers
- Preferred name
- (2-Methyl-4,6-dinitrophenyl) benzoate
- IUPAC
- (2-methyl-4,6-dinitrophenyl) benzoate
Names & synonyms
4102-92-5NSC 408883(2-methyl-4,6-dinitrophenyl) benzoateNSC408883SCHEMBL1133326DTXSID50325154O-Cresol, 4,6-dinitro-,benzoate2-Methyl-4,6-dinitrophenyl benzoateNSC-408883(2-methyl-4,6-dinitro-phenyl) benzoate
Database identifiers
- CAS
4102-92-5- PubChem CID
- 349259
- DTXSID
DTXSID50325154
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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