5-Benzofuranol, 3-(p-chlorobenzoyl)-4-dimethylaminomethyl-, hydrochloride
Basic information
- CAS
29538-93-0- Standard SMILES
C[NH+](C)Cc1c(O)ccc2occ(C(=O)c3ccc(Cl)cc3)c12.[Cl-]- InChIKey
AKFRGAZGJOHRPX-UHFFFAOYSA-N- Molecular formula
- C18H17Cl2NO3
- Average molar mass
- 366.2 g/mol
- Monoisotopic mass
- 365.0585488
Names & identifiers
- Preferred name
- 5-Benzofuranol, 3-(p-chlorobenzoyl)-4-dimethylaminomethyl-, hydrochloride
- IUPAC
- [3-(4-chlorobenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Names & synonyms
5-BENZOFURANOL, 3-(p-CHLOROBENZOYL)-4-DIMETHYLAMINOMETHYL-, HYDROCHLORIDE5-(p-Chlorobenzoyl)-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride29538-93-0RefChem:301219
Database identifiers
- CAS
29538-93-0- PubChem CID
- 34614
Properties
Computed structural properties
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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