Basic information
- CAS
62276-02-2- Standard SMILES
COC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
FBHWDEJQRVQXON-UHFFFAOYSA-N- Molecular formula
- C14H11N3O6
- Average molar mass
- 317.25 g/mol
- Monoisotopic mass
- 317.06478508
Names & identifiers
- Preferred name
- Methyl 4-[(2,4-dinitrophenyl)amino]benzoate
- IUPAC
- methyl 4-(2,4-dinitroanilino)benzoate
Names & synonyms
Methyl 4-[(2,4-dinitrophenyl)amino]benzoatemethyl 4-(2,4-dinitroanilino)benzoate62276-02-2DTXSID70398183AKOS000285987ST45033060
Database identifiers
- CAS
62276-02-2- PubChem CID
- 3950673
- DTXSID
DTXSID70398183
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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