Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-
Basic information
- CAS
72766-33-7- Standard SMILES
O=[N+]([O-])c1cc2[nH]cnc2c([N+](=O)[O-])c1Nc1ccc(O)cc1- InChIKey
WMEFFAMJWPJQPG-UHFFFAOYSA-N- Molecular formula
- C13H9N5O5
- Average molar mass
- 315.24 g/mol
- Monoisotopic mass
- 315.0603684
Names & identifiers
- Preferred name
- Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-
- IUPAC
- 4-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]phenol
Names & synonyms
Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-BRN 093907772766-33-74-((4,6-Dinitro-1H-benzimidazol-5-yl)amino)phenolDTXSID80223093NSC 291090RefChem:369197DTXCID80145584NSC291090NSC-2910904-[(4,6-Dinitro-1H-1,3-benzimidazol-5-yl)amino]phenol
Database identifiers
- CAS
72766-33-7- PubChem CID
- 3923296
- DTXSID
DTXSID80223093
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
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Related reactions
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Compound notes
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