Basic information
- CAS
458537-98-9- Standard SMILES
COC(=O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1- InChIKey
FZUCZSWJAUYLMI-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- Methyl 3-nitro-5-phenylbenzoate
- IUPAC
- methyl 3-nitro-5-phenylbenzoate
Names & synonyms
methyl 3-nitro-5-phenylbenzoate458537-98-9methyl3-nitro-5-phenylbenzoateSCHEMBL6162376FZUCZSWJAUYLMI-UHFFFAOYSA-NDTXSID301261222Methyl 5-nitro[1,1'-biphenyl]-3-carboxylate5-nitro-biphenyl-3-carboxylic acid methyl esterMethyl 5-nitro[1,1a(2)-biphenyl]-3-carboxylate
Database identifiers
- CAS
458537-98-9- PubChem CID
- 69687208
- DTXSID
DTXSID301261222
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
4 records
Compound notes
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