| CAS Number | 877963-87-6 |
| Catalog Number | AG019PJX(AGN-PC-0WOCQJ) |
| Chemical Name | 1-[1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]ethan-1-one |
| IUPAC Name | 1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone |
| InChI | InChI=1S/C10H8F2N2O/c1-6(15)9-13-7-4-2-3-5-8(7)14(9)10(11)12/h2-5,10H,1H3 |
| InChI Key | WAXPXZUCEYGWHK-UHFFFAOYSA-N |
| MDL Number | MFCD07850222 |
| Molecular Formula | C10H8F2N2O |
| Molecular Weight | 210.1801 |
| SMILES | CC(C1N(C(F)F)C2=C(C=CC=C2)N=1)=O |
| Synonyms | 1-[1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]ethan-1-one,
877963-87-6,
1-[1-(difluoromethyl)-1H-benzimidazol-2-yl]ethanone,
AC1PKRPC,
AC1Q1K0A,
SCHEMBL7950837,
CTK5J9870,
ZINC7986268,
AKOS009085626,
MCULE-6935574557,
NE13746,
EN300-23989,
1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone,
1-[1-(Difluoromethyl)-1H-benzoimidazole-2-yl]ethanone,
Z169511930,
ZINC07986268,
CID9115244,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.184g/mol |
| Monoisotopic Mass | 210.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number