| CAS Number | 929974-21-0 |
| Catalog Number | AG019KDY(AGN-PC-0WO2H8) |
| Chemical Name | [1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]methanol |
| IUPAC Name | [1-(difluoromethyl)benzimidazol-2-yl]methanol |
| InChI | InChI=1S/C9H8F2N2O/c10-9(11)13-7-4-2-1-3-6(7)12-8(13)5-14/h1-4,9,14H,5H2 |
| InChI Key | YOTSXVUDIFYTGT-UHFFFAOYSA-N |
| MDL Number | MFCD08729211 |
| Molecular Formula | C9H8F2N2O |
| Molecular Weight | 198.1694 |
| SMILES | OCC1N(C(F)F)C2=C(C=CC=C2)N=1 |
| Synonyms | [1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]methanol,
[1-(difluoromethyl)-1H-benzimidazol-2-yl]methanol,
929974-21-0,
AC1Q7C4U,
CTK8F2332,
ZINC8778670,
AKOS026726884,
MCULE-1584415702,
NE19538,
EN300-26561,
1-(Difluoromethyl)-1H-benzoimidazole-2-methanol,
Z227830222,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.173g/mol |
| Monoisotopic Mass | 198.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number