| CAS Number | 1203954-79-3 |
| Catalog Number | AG0099SF |
| Chemical Name | 2,4,5-Trifluoro-N-methyl-benzamide |
| IUPAC Name | 2,4,5-trifluoro-N-methylbenzamide |
| InChI | InChI=1S/C8H6F3NO/c1-12-8(13)4-2-6(10)7(11)3-5(4)9/h2-3H,1H3,(H,12,13) |
| InChI Key | DNMYTIWEBMQMBY-UHFFFAOYSA-N |
| MDL Number | MFCD18206274 |
| Molecular Formula | C8H6F3NO |
| Molecular Weight | 189.1345 |
| SMILES | C1(C(NC)=O)C=C(F)C(F)=CC=1F |
| Synonyms | 2,4,5-Trifluoro-N-methyl-benzamide,
1203954-79-3,
SCHEMBL7981477,
2,4,5-trifluoro-N-methylbenzamide,
|
| Complexity | 200 |
| 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
Lot Number