| CAS Number | 1250397-72-8 |
| Catalog Number | AG00HHVU(AGN-PC-0WP1QD) |
| Chemical Name | 2,3-Difluoro-N-methylbenzamide |
| IUPAC Name | 2,3-difluoro-N-methylbenzamide |
| InChI | InChI=1S/C8H7F2NO/c1-11-8(12)5-3-2-4-6(9)7(5)10/h2-4H,1H3,(H,11,12) |
| InChI Key | HIYDOOYADAKGDQ-UHFFFAOYSA-N |
| MDL Number | MFCD16836083 |
| Molecular Formula | C8H7F2NO |
| Molecular Weight | 171.1441 |
| SMILES | c1(cccc(c1F)C(=O)NC)F |
| Synonyms | 2,3-difluoro-N-methylbenzamide,
1250397-72-8,
SCHEMBL1805144,
2,3-Difluoro-N-methyl-benzamide,
HIYDOOYADAKGDQ-UHFFFAOYSA-N,
ZINC54188656,
AKOS011942840,
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| Complexity | 174 |
| 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 | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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