| CAS Number | 340136-34-7 |
| Catalog Number | AG007HVI(AGN-PC-0WR9YZ) |
| Chemical Name | N-tert-butyl-3-(trifluoromethyl)benzamide |
| IUPAC Name | N-tert-butyl-3-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C12H14F3NO/c1-11(2,3)16-10(17)8-5-4-6-9(7-8)12(13,14)15/h4-7H,1-3H3,(H,16,17) |
| InChI Key | ZRYOHEVXEOPFNA-UHFFFAOYSA-N |
| MDL Number | MFCD16618941 |
| Molecular Formula | C12H14F3NO |
| Molecular Weight | 245.2409 |
| SMILES | O=C(c1cccc(c1)C(F)(F)F)NC(C)(C)C |
| Synonyms | N-tert-butyl-3-(trifluoromethyl)benzamide,
340136-34-7,
N-(tert-Butyl)-3-(trifluoromethyl)benzamide,
ACMC-209i4k,
SCHEMBL7647660,
CTK4H1602,
DTXSID00431219,
ZRYOHEVXEOPFNA-UHFFFAOYSA-N,
ANW-27762,
MFCD16618941,
ZINC28210461,
AKOS008948900,
N-tert-Butyl 3-Trifluoromethylbenzamide,
AJ-83391,
TR-036538,
V5293,
I01-11331,
C12H14F3NO,
CID9816294,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.245g/mol |
| Monoisotopic Mass | 245.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number