| CAS Number | 1016688-16-6 |
| Catalog Number | AG019V8A |
| Chemical Name | 2-(2,5-difluorophenyl)-1H-1,3-benzodiazol-5-amine |
| IUPAC Name | 2-(2,5-difluorophenyl)-3H-benzimidazol-5-amine |
| InChI | InChI=1S/C13H9F2N3/c14-7-1-3-10(15)9(5-7)13-17-11-4-2-8(16)6-12(11)18-13/h1-6H,16H2,(H,17,18) |
| InChI Key | SJSLOFIDOXOORR-UHFFFAOYSA-N |
| MDL Number | MFCD09927926 |
| Molecular Formula | C13H9F2N3 |
| Molecular Weight | 245.2275 |
| SMILES | NC1=CC2=C(NC(C3=C(F)C=CC(F)=C3)=N2)C=C1 |
| Synonyms | 2-(2,5-difluorophenyl)-1H-1,3-benzodiazol-5-amine,
1016688-16-6,
AC1Q52EL,
CTK7D8498,
CTK8F3516,
ZINC19423205,
AKOS000167834,
AKOS023117847,
MCULE-3277792910,
NE14614,
EN300-44057,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.233g/mol |
| Monoisotopic Mass | 245.076g/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