| CAS Number | 1018978-86-3 |
| Catalog Number | AG0005V0(AGN-PC-0WCTZZ) |
| Chemical Name | (4R)-6-CHLOROCHROMANE-4-YLAMINE |
| IUPAC Name | (4R)-6-chloro-3,4-dihydro-2H-chromen-4-amine |
| InChI | InChI=1S/C9H10ClNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m1/s1 |
| InChI Key | DLMNYSHJWHCTOD-MRVPVSSYSA-N |
| MDL Number | MFCD06762096 |
| Molecular Formula | C9H10ClNO |
| Molecular Weight | 183.6348 |
| SMILES | N[C@@H]1CCOC2=C1C=C(Cl)C=C2 |
| Synonyms | 1018978-86-3,
(4R)-6-CHLOROCHROMANE-4-YLAMINE,
(R)-6-CHLOROCHROMAN-4-AMINE,
(4R)-6-Chloro-3,4-dihydro-2H-1-benzopyran-4-amine,
MFCD06762096,
ZINC11849014,
AKOS017405070,
AB29112,
EBD2962974,
AJ-60251,
2H-1-Benzopyran-4-amine, 6-chloro-3,4-dihydro-, (4R)-,
ACN-054849,
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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