Basic information
- CAS
63112-53-8- Standard SMILES
C[NH+](C)Cc1c(O)ccc2c(-c3ccccc3)c(Br)oc12.[Cl-]- InChIKey
WXCYZXJYNDKBIR-UHFFFAOYSA-N- Molecular formula
- C17H17BrClNO2
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 381.01312
Names & identifiers
- Preferred name
- 6-Benzofuranol, 2-bromo-7-((dimethylamino)methyl)-3-phenyl-, hydrochloride
- IUPAC
- (2-bromo-6-hydroxy-3-phenyl-1-benzofuran-7-yl)methyl-dimethylazanium chloride
Names & synonyms
2-Bromo-7-((dimethylamino)methyl)-3-phenyl-6-benzofuranol hydrochloride63112-53-82-Bromo-3-phenyl-6-hydroxy-7-dimethylaminomethylbenzofuran hydrochloride6-BENZOFURANOL, 2-BROMO-7-((DIMETHYLAMINO)METHYL)-3-PHENYL-, HYDROCHLORIDERefChem:307227
Database identifiers
- CAS
63112-53-8- PubChem CID
- 44406
Properties
Computed structural properties
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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