| CAS Number | 613678-12-9 |
| Catalog Number | AG01DZTH |
| Chemical Name | 2,4,6-trifluoro-N-methylbenzamide |
| IUPAC Name | 2,4,6-trifluoro-N-methylbenzamide |
| InChI | InChI=1S/C8H6F3NO/c1-12-8(13)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3,(H,12,13) |
| InChI Key | KPYSRIYHVXSSAA-UHFFFAOYSA-N |
| MDL Number | MFCD21125757 |
| Molecular Formula | C8H6F3NO |
| Molecular Weight | 189.1345 |
| SMILES | CNC(C1=C(F)C=C(F)C=C1F)=O |
| Synonyms | 2,4,6-trifluoro-N-methylbenzamide,
613678-12-9,
Benzamide, 2,4,6-trifluoro-N-methyl-,
SCHEMBL1004213,
KPYSRIYHVXSSAA-UHFFFAOYSA-N,
N-methyl-2,4,6-trifluorobenzamide,
AKOS014433115,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.137g/mol |
| Monoisotopic Mass | 189.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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