Basic information
- CAS
61963-64-2- Standard SMILES
COc1ccc(Nc2ncccc2[N+](=O)[O-])cc1OC- InChIKey
CKBCLKICXPJSGY-UHFFFAOYSA-N- Molecular formula
- C13H13N3O4
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.0906059
Names & identifiers
- Preferred name
- N-(3,4-Dimethoxyphenyl)-3-nitropyridin-2-amine
- IUPAC
- N-(3,4-dimethoxyphenyl)-3-nitropyridin-2-amine
Names & synonyms
61963-64-2N-(3,4-Dimethoxyphenyl)-3-nitropyridin-2-amineDTXSID50498539AKOS034639053DA-41949AB00761823-01Z86250994
Database identifiers
- CAS
61963-64-2- PubChem CID
- 12445367
- DTXSID
DTXSID50498539
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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