| CAS Number | 61062-56-4 |
| Catalog Number | AG00EN5O(AGN-PC-00MD71) |
| Chemical Name | 2-amino-1-[3-(trifluoromethyl)phenyl]ethan-1-one hydrochloride |
| IUPAC Name | 2-amino-1-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride |
| InChI | InChI=1S/C9H8F3NO.ClH/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13;/h1-4H,5,13H2;1H |
| InChI Key | HEPPSEJUYWXQJV-UHFFFAOYSA-N |
| MDL Number | MFCD11974307 |
| Molecular Formula | C9H9ClF3NO |
| Molecular Weight | 239.6221 |
| SMILES | Cl.NCC(=O)C1=CC(=CC=C1)C(F)(F)F |
| Synonyms | 61062-56-4,
2-AMINO-1-(3-(TRIFLUOROMETHYL)PHENYL)ETHANONE HCL,
2-amino-1-(3-(trifluoromethyl)phenyl)ethanone hydrochloride,
2-amino-1-[3-(trifluoromethyl)phenyl]ethan-1-one hydrochloride,
2-amino-1-[3-(trifluoromethyl)phenyl]ethanone hydrochloride,
SCHEMBL310751,
DTXSID80538437,
HEPPSEJUYWXQJV-UHFFFAOYSA-N,
MFCD11974307,
AKOS027254713,
NE61193,
AS-38761,
SC-31390,
2-Amino-3'-trifluoromethylacetophenone HCl,
3-TRIFLUOROMETHYLPHENACYLAMINE HYDROCHLORIDE,
Z2379888998,
2-Amino-1-(3-trifluoromethyl-phenyl)-ethanone hydrochloride,
2-AMINO-3'-TRIFLUOROMETHYLACETOPHENONE HYDROCHLORIDE,
2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-one--hydrogen chloride (1/1),
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.622g/mol |
| Monoisotopic Mass | 239.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number