| CAS Number | 891831-55-3 |
| Catalog Number | AG01A33J(AGN-PC-0WOC7I) |
| Chemical Name | 2-(Difluoromethyl)-1H-benzo[d]imidazol-5-amine |
| IUPAC Name | 2-(difluoromethyl)-3H-benzimidazol-5-amine |
| InChI | InChI=1S/C8H7F2N3/c9-7(10)8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2,(H,12,13) |
| InChI Key | UTJQNINOXMUSDN-UHFFFAOYSA-N |
| MDL Number | MFCD11193511 |
| Molecular Formula | C8H7F2N3 |
| Molecular Weight | 183.1581 |
| SMILES | NC1=CC2=C(NC(C(F)F)=N2)C=C1 |
| Synonyms | 2-(difluoromethyl)-1H-1,3-benzodiazol-5-amine,
891831-55-3,
1H-Benzimidazol-6-amine, 2-(difluoromethyl)-,
SCHEMBL18062744,
UTJQNINOXMUSDN-UHFFFAOYSA-N,
ZINC20475420,
AKOS009261069,
NE15100,
2-(difluoromethyl)-1H-benzimidazol-6-amine,
2-(Difluoromethyl)-1H-benzo[d]imidazol-5-amine,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.162g/mol |
| Monoisotopic Mass | 183.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number