| CAS Number | 1343260-93-4 |
| Catalog Number | AG01E7X1 |
| Chemical Name | 2-fluoro-4-(1H-1,2,4-triazol-3-yl)aniline |
| IUPAC Name | 2-fluoro-4-(1H-1,2,4-triazol-5-yl)aniline |
| InChI | InChI=1S/C8H7FN4/c9-6-3-5(1-2-7(6)10)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13) |
| InChI Key | XKPLXWZQTIEWOE-UHFFFAOYSA-N |
| MDL Number | MFCD18285586 |
| Molecular Formula | C8H7FN4 |
| Molecular Weight | 178.1664 |
| SMILES | NC1=C(F)C=C(C2=NNC=N2)C=C1 |
| Synonyms | 2-fluoro-4-(1H-1,2,4-triazol-3-yl)aniline,
SCHEMBL7106674,
ZINC63010081,
AKOS012490354,
NE19437,
2-fluoro-4-(4H-1,2,4-triazol-3-yl)aniline,
Z1898727511,
1343260-93-4,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.17g/mol |
| Monoisotopic Mass | 178.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number