| CAS Number | 872552-44-8 |
| Catalog Number | AG01AB61 |
| Chemical Name | 4-(5-fluoro-1H-1,3-benzodiazol-2-yl)aniline |
| IUPAC Name | 4-(6-fluoro-1H-benzimidazol-2-yl)aniline |
| InChI | InChI=1S/C13H10FN3/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2,(H,16,17) |
| InChI Key | OHGFHBIPTNBMQE-UHFFFAOYSA-N |
| MDL Number | MFCD12603544 |
| Molecular Formula | C13H10FN3 |
| Molecular Weight | 227.2370 |
| SMILES | NC1=CC=C(C2NC3=C(C=C(C=C3)F)N=2)C=C1 |
| Synonyms | 4-(5-fluoro-1H-1,3-benzodiazol-2-yl)aniline,
872552-44-8,
AC1Q51UW,
SCHEMBL6247115,
ZINC37439119,
AKOS009999163,
MCULE-8901559998,
NE25807,
EN300-70574,
Z1263820349,
|
| Complexity | 265 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number