Basic information
- CAS
63112-52-7- Standard SMILES
C[NH+](C)Cc1c(O)ccc2oc(Br)c(-c3ccccc3)c12.[Cl-]- InChIKey
DRVFKIKDBVZJOH-UHFFFAOYSA-N- Molecular formula
- C17H17BrClNO2
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 381.01312
Names & identifiers
- Preferred name
- 5-Benzofuranol, 2-bromo-4-((dimethylamino)methyl)-3-phenyl-, hydrochloride
- IUPAC
- (2-bromo-5-hydroxy-3-phenyl-1-benzofuran-4-yl)methyl-dimethylazanium chloride
Names & synonyms
2-Bromo-4-((dimethylamino)methyl)-3-phenyl-5-benzofuranol hydrochloride63112-52-72-Bromo-3-phenyl-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride5-BENZOFURANOL, 2-BROMO-4-((DIMETHYLAMINO)METHYL)-3-PHENYL-, HYDROCHLORIDERefChem:301213
Database identifiers
- CAS
63112-52-7- PubChem CID
- 44404
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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