| CAS Number | 1955558-04-9 |
| Catalog Number | AG01B5PY |
| Chemical Name | (6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)methanamine hydrochloride |
| IUPAC Name | (6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C10H12FNO.ClH/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10;/h2,4-5,9H,1,3,6,12H2;1H |
| InChI Key | WWNGXOBCLYJMKW-UHFFFAOYSA-N |
| MDL Number | MFCD30181194 |
| Molecular Formula | C10H13ClFNO |
| Molecular Weight | 217.6677 |
| SMILES | Cl.NCC1OC2=C(C=C(C=C2)F)CC1 |
| Synonyms | (6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)methanamine hydrochloride,
1955558-04-9,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.668g/mol |
| Monoisotopic Mass | 217.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number