C9H8BrNO4.ClH
3-(aminomethyl)-4-bromo-6,7-dihydroxy-3H-2-benzofuran-1-one;hydrochloride
Also Known As: 3-Aminomethyl-4-bromo-6,7-dihydroxyphthalide hydrochloride|Phthalide, 3-aminomethyl-4-bromo-6,7-dihydroxy-, hydrochloride|3-(Aminomethyl)-4-bromo-6,7-dihydroxy-2-benzofuran-1(3H)-one--hydrogen chloride (1/1)|3-(aminomethyl)-4-bromo-6,7-dihydroxy-3H-2-benzofuran-1-one hydrochloride
CAS: 101976-16-3
| Molecular Formula | C9H9BrClNO4 |
|---|---|
| Molecular Weight | 308.94034 g/mol |
| LogP | 1.4523 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.94034 |
| Monoisotopic Mass | 308.94034 |
| Heavy Atoms | 16 |
| Complexity | 451.6254 |
Chemical Identifiers
| CAS Number | 101976-16-3 |
|---|---|
| SMILES | C1=C(C(=C2C(=C1Br)C(OC2=O)CN)O)O.Cl |
Product Overview
C9H8BrNO4.ClH (CAS 101976-16-3), with molecular formula C9H9BrClNO4 and molecular weight 308.94034 g/mol. IUPAC: 3-(aminomethyl)-4-bromo-6,7-dihydroxy-3H-2-benzofuran-1-one;hydrochloride.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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