| CAS Number | 1965314-59-3 |
| Catalog Number | AG01DMVA |
| Chemical Name | 3-Benzofuranamine, 5-bromo-2,3-dihydro-, hydrochloride (1:1), (3S)- |
| IUPAC Name | (3S)-5-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride |
| InChI | InChI=1S/C8H8BrNO.ClH/c9-5-1-2-8-6(3-5)7(10)4-11-8;/h1-3,7H,4,10H2;1H/t7-;/m1./s1 |
| InChI Key | UKCIFENUZLYBRF-OGFXRTJISA-N |
| MDL Number | MFCD24435420 |
| Molecular Formula | C8H9BrClNO |
| Molecular Weight | 250.5202 |
| SMILES | N[C@H]1c2c(OC1)ccc(c2)Br.Cl |
| Synonyms | (S)-5-Bromo-2,3-dihydro-benzofuran-3-ylamine hydrochloride,
1965314-59-3,
NE64619,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.52g/mol |
| Monoisotopic Mass | 248.956g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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