| CAS Number | 401587-34-6 |
| Catalog Number | AG01DWEO |
| Chemical Name | N-ethyl-2,6-difluorobenzamide |
| IUPAC Name | N-ethyl-2,6-difluorobenzamide |
| InChI | InChI=1S/C9H9F2NO/c1-2-12-9(13)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3,(H,12,13) |
| InChI Key | UQFMJCCMJOKHMH-UHFFFAOYSA-N |
| MDL Number | MFCD03551077 |
| Molecular Formula | C9H9F2NO |
| Molecular Weight | 185.1707 |
| SMILES | CCNC(C1=C(F)C=CC=C1F)=O |
| Synonyms | N-ethyl-2,6-difluorobenzamide,
AC1NEGSV,
SCHEMBL13226271,
ZINC6843258,
AKOS008953075,
MCULE-3033157737,
(2,6-difluorophenyl)-N-ethylcarboxamide,
ST51025907,
401587-34-6,
N-ethyl-2,6-difluoro-benzamide,
CID4591988,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.174g/mol |
| Monoisotopic Mass | 185.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number