| CAS Number | 2060021-70-5 |
| Catalog Number | AG01C01H |
| Chemical Name | N-[4-amino-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide hydrochloride |
| IUPAC Name | N-[4-amino-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide;hydrochloride |
| InChI | InChI=1S/C11H11F3N2O.ClH/c12-11(13,14)8-5-7(3-4-9(8)15)16-10(17)6-1-2-6;/h3-6H,1-2,15H2,(H,16,17);1H |
| InChI Key | IYXSFZUZKSRNDL-UHFFFAOYSA-N |
| MDL Number | MFCD30497773 |
| Molecular Formula | C11H12ClF3N2O |
| Molecular Weight | 280.6740 |
| SMILES | Cl.NC1=C(C(F)(F)F)C=C(NC(C2CC2)=O)C=C1 |
| Synonyms | N-[4-amino-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide hydrochloride,
2060021-70-5,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.675g/mol |
| Monoisotopic Mass | 280.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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