| CAS Number | 1251922-61-8 |
| Catalog Number | AG01AA93 |
| Chemical Name | 3-(2-fluorophenyl)-1H-1,2,4-triazol-5-amine hydrochloride |
| IUPAC Name | 5-(2-fluorophenyl)-1H-1,2,4-triazol-3-amine;hydrochloride |
| InChI | InChI=1S/C8H7FN4.ClH/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7;/h1-4H,(H3,10,11,12,13);1H |
| InChI Key | PDMOZDGYYXXORS-UHFFFAOYSA-N |
| MDL Number | MFCD16990670 |
| Molecular Formula | C8H8ClFN4 |
| Molecular Weight | 214.6273 |
| SMILES | Cl.NC1NN=C(C2=C(F)C=CC=C2)N=1 |
| Synonyms | 3-(2-fluorophenyl)-1H-1,2,4-triazol-5-amine hydrochloride,
1251922-61-8,
AC1Q3D0A,
AKOS008101045,
MCULE-6772377306,
NE27247,
EN300-67507,
Z1211229413,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.628g/mol |
| Monoisotopic Mass | 214.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number