Basic information
- CAS
63112-48-1- Standard SMILES
C[NH+](C)Cc1c(O)c([N+](=O)[O-])cc2oc(-c3ccccc3)cc12.[Cl-]- InChIKey
KMVPIIAKAGYKOV-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O4
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.0876847
Names & identifiers
- Preferred name
- 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride
- IUPAC
- (5-hydroxy-6-nitro-2-phenyl-1-benzofuran-4-yl)methyl-dimethylazanium chloride
Names & synonyms
4-((Dimethylamino)methyl)-6-nitro-2-phenyl-5-benzofuranol hydrochloride63112-48-12-Phenyl-4-dimethylaminomethyl-5-hydroxy-6-nitrobenzofuran hydrochloride5-BENZOFURANOL, 4-((DIMETHYLAMINO)METHYL)-6-NITRO-2-PHENYL-, HYDROCHLORIDERefChem:301233
Database identifiers
- CAS
63112-48-1- PubChem CID
- 44400
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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