3-(2,4-Dinitroanilino)benzoic acid
Basic information
- CAS
7221-25-2- Standard SMILES
O=C(O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1- InChIKey
IXLRLXCTHVMJJM-UHFFFAOYSA-N- Molecular formula
- C13H9N3O6
- Average molar mass
- 303.23 g/mol
- Monoisotopic mass
- 303.04913502
Names & identifiers
- Preferred name
- 3-(2,4-Dinitroanilino)benzoic acid
- IUPAC
- 3-(2,4-dinitroanilino)benzoic acid
- English name
- Benzoic acid, 3-[(2,4-dinitrophenyl)amino]-
- Molecular formula
- C13H9N3O6
- Molecular weight
- 303.22706
Names & synonyms
7221-25-2Benzoic acid, 3-[(2,4-dinitrophenyl)amino]-3-(2,4-Dinitroanilino)benzoic acidm-(2,4-Dinitroanilino)benzoic acid3-[(2,4-dinitrophenyl)amino]benzoic acidOprea1_666064AE-641/30076006CHEMBL3962195DTXSID00347048IXLRLXCTHVMJJM-UHFFFAOYSA-NBDBM220117MFCD00405155
Show more names
3-(2,4-dinitroanilino)benzoicacid
STK2860103-{2,4-bisnitroanilino}benzoic acidAKOS0002859863-(2,4-Dinitroanilino)benzoic acid #benzoic acid, 3-(2,4-dinitroanilino)-N-(3-Carboxyphenyl)-2,4-dinitroanilineSR-01000213401SR-01000213401-1
Database identifiers
- CAS
7221-25-2- PubChem CID
- 617499
- DTXSID
DTXSID00347048- ChEMBL
CHEMBL3962195- Nikkaji
- J1.427.440E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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