| CAS Number | 261763-36-4 |
| Catalog Number | AG002S2E(AGN-PC-0WAO9R) |
| Chemical Name | 2,6-Difluoro-3-methylbenzamide |
| IUPAC Name | 2,6-difluoro-3-methylbenzamide |
| InChI | InChI=1S/C8H7F2NO/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,1H3,(H2,11,12) |
| InChI Key | WTFLDSNCRFCSAI-UHFFFAOYSA-N |
| MDL Number | MFCD01631408 |
| Molecular Formula | C8H7F2NO |
| Molecular Weight | 171.1441 |
| SMILES | CC1=C(F)C(C(N)=O)=C(F)C=C1 |
| Synonyms | 2,6-Difluoro-3-methylbenzamide,
261763-36-4,
2,6-Difluoro-3-methyl-benzamide,
AC1MCNZX,
SCHEMBL9789269,
CTK7D2545,
JRD-1104,
ZINC2382051,
3-(2,4-difluorobenzyl)-carboxamide,
MFCD01631408,
SBB088487,
AKOS006230593,
JS-4191,
MCULE-9323069111,
TR-039887,
ST51041492,
ZINC02382051,
CID2774140,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.147g/mol |
| Monoisotopic Mass | 171.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number