| CAS Number | 1391435-53-2 |
| Catalog Number | AG01DTG4 |
| Chemical Name | (1S)-1-(2-CHLORO-6-FLUOROPHENYL)PROPAN-1-AMINE HYDROCHLORIDE |
| IUPAC Name | (1S)-1-(2-chloro-6-fluorophenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H11ClFN.ClH/c1-2-8(12)9-6(10)4-3-5-7(9)11;/h3-5,8H,2,12H2,1H3;1H/t8-;/m0./s1 |
| InChI Key | OKUQLPSNXGYWEY-QRPNPIFTSA-N |
| MDL Number | MFCD12758000 |
| Molecular Formula | C9H12Cl2FN |
| Molecular Weight | 224.1027 |
| SMILES | CC[C@H](N)C1=C(C=CC=C1Cl)F.[H]Cl |
| Synonyms | 1391435-53-2,
(1S)-1-(2-CHLORO-6-FLUOROPHENYL)PROPAN-1-AMINE HYDROCHLORIDE,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.1g/mol |
| Monoisotopic Mass | 223.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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