2,3-Dimethyl-5-nitro-4-oxidaniumylquinazolin-3-ium
Basic information
- CAS
7467-38-1- Standard SMILES
Cc1nc2cccc([N+](=O)[O-])c2c([OH2+])[n+]1C- InChIKey
DPWHCPPJEXJQKL-UHFFFAOYSA-P- Molecular formula
- C10H11N3O3+2
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.08004122
Names & identifiers
- Preferred name
- 2,3-Dimethyl-5-nitro-4-oxidaniumylquinazolin-3-ium
- IUPAC
- (2,3-dimethyl-5-nitroquinazolin-3-ium-4-yl)oxidanium
Names & synonyms
7467-38-1DTXSID20639477NSC400952NSC-4009522,3-DIMETHYL-5-NITRO-4-OXIDANIUMYLQUINAZOLIN-3-IUM
Database identifiers
- CAS
7467-38-1- PubChem CID
- 24200769
- DTXSID
DTXSID20639477
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 2
- Complexity
- 281
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Compound notes
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