| CAS Number | 65017-76-7 |
| Catalog Number | AG01FD9D(AGN-PC-0040XV) |
| Chemical Name | N-Methyl-4-(trifluoromethyl)benzamide |
| IUPAC Name | N-methyl-4-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C9H8F3NO/c1-13-8(14)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3,(H,13,14) |
| InChI Key | PETVNYBGUYXLNT-UHFFFAOYSA-N |
| MDL Number | MFCD19595561 |
| Molecular Formula | C9H8F3NO |
| Molecular Weight | 203.1611 |
| SMILES | CNC(C1=CC=C(C=C1)C(F)(F)F)=O |
| Synonyms | n-methyl-4-(trifluoromethyl)benzamide,
65017-76-7,
Benzamide, N-methyl-4-(trifluoromethyl)-,
SCHEMBL3655196,
CHEMBL4087004,
CTK2A0690,
DTXSID70569412,
PETVNYBGUYXLNT-UHFFFAOYSA-N,
AKOS008932986,
Benzamide, 4-(trifluoromethyl)-N-methyl-,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.164g/mol |
| Monoisotopic Mass | 203.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number