| CAS Number | 115201-20-2 |
| Catalog Number | AG009P8W(AGN-PC-0NYODI) |
| Chemical Name | 2-(Cyanomethyl)-5-fluorobenzimidazole |
| IUPAC Name | 2-(6-fluoro-1H-benzimidazol-2-yl)acetonitrile |
| InChI | InChI=1S/C9H6FN3/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3H2,(H,12,13) |
| InChI Key | YWFLAMGQWYAIFX-UHFFFAOYSA-N |
| MDL Number | MFCD18807767 |
| Molecular Formula | C9H6FN3 |
| Molecular Weight | 175.1624 |
| SMILES | C(#N)CC=1NC2=C(N1)C=CC(=C2)F |
| Synonyms | 115201-20-2,
2-(Cyanomethyl)-5-fluorobenzimidazole,
2-(5-Fluoro-1H-benzo[d]imidazol-2-yl)acetonitrile,
ZINC26471035,
AKOS006308427,
AKOS013465553,
CS-12323,
SY046470,
MFCD18807767 (95%),
1H-Benzimidazole-2-acetonitrile,5-fluoro-(9CI),
1H-Benzimidazole-2-acetonitrile, 5-fluoro- (9CI),
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.166g/mol |
| Monoisotopic Mass | 175.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number