Basic information
- CAS
64894-92-4- Standard SMILES
O=C(O)c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1- InChIKey
HCXGFUFRKUKXCU-UHFFFAOYSA-N- Molecular formula
- C20H13N3O4
- Average molar mass
- 359.3 g/mol
- Monoisotopic mass
- 359.0906059
Names & identifiers
- Preferred name
- Benzoic acid, 4-((3-nitro-9-acridinyl)amino)-
- IUPAC
- 4-[(3-nitroacridin-9-yl)amino]benzoic acid
Names & synonyms
Benzoic acid, 4-((3-nitro-9-acridinyl)amino)-64894-92-44-((3-Nitro-9-acridinyl)amino)benzoic acid4-[(3-nitroacridin-9-yl)amino]benzoic acidCHEMBL107622DTXSID80215190
Database identifiers
- CAS
64894-92-4- PubChem CID
- 149237
- DTXSID
DTXSID80215190- ChEMBL
CHEMBL107622
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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