| CAS Number | 2138045-16-4 |
| Catalog Number | AG01EJNE |
| Chemical Name | 5-(pentafluoroethyl)-1H-1,3-benzodiazol-2-amine |
| IUPAC Name | 6-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazol-2-amine |
| InChI | InChI=1S/C9H6F5N3/c10-8(11,9(12,13)14)4-1-2-5-6(3-4)17-7(15)16-5/h1-3H,(H3,15,16,17) |
| InChI Key | ADDZAUMCNGTEPR-UHFFFAOYSA-N |
| MDL Number | MFCD31558992 |
| Molecular Formula | C9H6F5N3 |
| Molecular Weight | 251.1561 |
| SMILES | NC1NC2=C(C=C(C(C(F)(F)F)(F)F)C=C2)N=1 |
| Synonyms | AKOS034125299,
5-(pentafluoroethyl)-1H-1,3-benzodiazol-2-amine,
2138045-16-4,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.16g/mol |
| Monoisotopic Mass | 251.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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