| CAS Number | 1807940-80-2 |
| Catalog Number | AG01BCKJ |
| Chemical Name | (4S)-5,8-Difluoro-3,4-Dihydro-2H-1-Benzopyran-4-Amine Hydrochloride |
| IUPAC Name | (4S)-5,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride |
| InChI | InChI=1S/C9H9F2NO.ClH/c10-5-1-2-6(11)9-8(5)7(12)3-4-13-9;/h1-2,7H,3-4,12H2;1H/t7-;/m0./s1 |
| InChI Key | NTWBGVNPHSHJNN-FJXQXJEOSA-N |
| MDL Number | MFCD24435651 |
| Molecular Formula | C9H10ClF2NO |
| Molecular Weight | 221.6316 |
| SMILES | Cl.FC1=CC=C(C2=C1[C@H](CCO2)N)F |
| Synonyms | (4S)-5,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride,
1807940-80-2,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.632g/mol |
| Monoisotopic Mass | 221.042g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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