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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C(CC2=C1C=CC(=C2)Br)N.Cl |
|---|---|
| IUPAC Name | (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride |
| InChIKey | ZYIZCCGZFWRSTN-FVGYRXGTSA-N |
| INCHI | 1S/C9H10BrN.ClH/c10-8-2-1-6-4-9(11)5-7(6)3-8;/h1-3,9H,4-5,11H2;1H/t9-;/m0./s1 |
| Isomeric SMILES | C1[C@@H](CC2=C1C=CC(=C2)Br)N.Cl |
| PubChem CID | 75176180 |
| Molecular Weight | 248.55 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 248.550 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 246.976 Da |
| Monoisotopic Mass | 246.976 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 148.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |