| CAS Number | 1017019-26-9 |
| Catalog Number | AG019UMI |
| Chemical Name | 3-amino-4-methyl-N-(2,2,2-trifluoroethyl)benzamide |
| IUPAC Name | 3-amino-4-methyl-N-(2,2,2-trifluoroethyl)benzamide |
| InChI | InChI=1S/C10H11F3N2O/c1-6-2-3-7(4-8(6)14)9(16)15-5-10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16) |
| InChI Key | KIZCVTPSAPRUAK-UHFFFAOYSA-N |
| MDL Number | MFCD09938673 |
| Molecular Formula | C10H11F3N2O |
| Molecular Weight | 232.2023 |
| SMILES | CC1=C(N)C=C(C(NCC(F)(F)F)=O)C=C1 |
| Synonyms | 3-amino-4-methyl-N-(2,2,2-trifluoroethyl)benzamide,
1017019-26-9,
AC1Q2FJI,
CTK7F6680,
ZINC19478593,
AKOS000181278,
MCULE-4430084350,
NE14645,
NCGC00327374-01,
EN300-42140,
AB01322133-02,
A1-06903,
Z426041528,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.206g/mol |
| Monoisotopic Mass | 232.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number