| CAS Number | 1228542-35-5 |
| Catalog Number | AG000JLE(AGN-PC-0WB00N) |
| Chemical Name | (4S)-8-Chloro-3,4-dihydro-2h-1-benzopyran-4-amine |
| IUPAC Name | (4S)-8-chloro-3,4-dihydro-2H-chromen-4-amine |
| InChI | InChI=1S/C9H10ClNO/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5,11H2/t8-/m0/s1 |
| InChI Key | YCWHOLRRUIEVQK-QMMMGPOBSA-N |
| MDL Number | MFCD07374053 |
| Molecular Formula | C9H10ClNO |
| Molecular Weight | 183.6348 |
| SMILES | N[C@H]1CCOC2=C(Cl)C=CC=C12 |
| Synonyms | (4S)-8-chloro-3,4-dihydro-2H-1-benzopyran-4-amine,
1228542-35-5,
(S)-8-CHLOROCHROMAN-4-AMINE,
AC1Q4UC4,
CTK7D1195,
MFCD07374053,
ZINC16082968,
AKOS017463647,
AB38627,
EBD2936336,
EN300-89209,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.635g/mol |
| Monoisotopic Mass | 183.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number