| CAS Number | 2059941-79-4 |
| Catalog Number | AG01C06M |
| Chemical Name | 2-amino-1-(5-chloro-2-fluorophenyl)ethan-1-one hydrochloride |
| IUPAC Name | 2-amino-1-(5-chloro-2-fluorophenyl)ethanone;hydrochloride |
| InChI | InChI=1S/C8H7ClFNO.ClH/c9-5-1-2-7(10)6(3-5)8(12)4-11;/h1-3H,4,11H2;1H |
| InChI Key | JGLAMOBSFWAYPG-UHFFFAOYSA-N |
| MDL Number | MFCD18252976 |
| Molecular Formula | C8H8Cl2FNO |
| Molecular Weight | 224.0596 |
| SMILES | Cl.NCC(C1=C(F)C=CC(Cl)=C1)=O |
| Synonyms | 2-amino-1-(5-chloro-2-fluorophenyl)ethan-1-one hydrochloride,
2059941-79-4,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.056g/mol |
| Monoisotopic Mass | 222.997g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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