| CAS Number | 1183634-12-9 |
| Catalog Number | AG01AF85 |
| Chemical Name | 5-(1H-Benzo[d]imidazol-2-yl)-2-fluoroaniline |
| IUPAC Name | 5-(1H-benzimidazol-2-yl)-2-fluoroaniline |
| InChI | InChI=1S/C13H10FN3/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2,(H,16,17) |
| InChI Key | KIUORSRTGYXUJW-UHFFFAOYSA-N |
| MDL Number | MFCD12732357 |
| Molecular Formula | C13H10FN3 |
| Molecular Weight | 227.2370 |
| SMILES | NC1=CC(C2=NC3=CC=CC=C3N2)=CC=C1F |
| Synonyms | 5-(1H-1,3-benzodiazol-2-yl)-2-fluoroaniline,
1183634-12-9,
ZINC37599375,
NE53551,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.242g/mol |
| Monoisotopic Mass | 227.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number