| CAS Number | 261952-00-5 |
| Catalog Number | AG002S7H(AGN-PC-0KKWY6) |
| Chemical Name | 4-Methyl-3-(trifluoromethyl)benzamide |
| IUPAC Name | 4-methyl-3-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C9H8F3NO/c1-5-2-3-6(8(13)14)4-7(5)9(10,11)12/h2-4H,1H3,(H2,13,14) |
| InChI Key | IELCRNVRCVJVGU-UHFFFAOYSA-N |
| MDL Number | MFCD01631499 |
| Molecular Formula | C9H8F3NO |
| Molecular Weight | 203.1611 |
| SMILES | C(F)(F)(F)C1C(C)=CC=C(C=1)C(N)=O |
| Synonyms | 4-methyl-3-(trifluoromethyl)benzamide,
261952-00-5,
Benzamide, 4-methyl-3-(trifluoromethyl)-,
AC1MCQBH,
SCHEMBL2706728,
CTK7D2645,
KS-00003R7P,
ZINC2382165,
MFCD01631499,
SBB093082,
AKOS015955984,
PS-8163,
CID2775575,
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| Complexity | 227 |
| 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 | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number