| CAS Number | 1258640-50-4 |
| Catalog Number | AG01AB31 |
| Chemical Name | [3-(4-Fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride |
| IUPAC Name | [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C9H9FN4.ClH/c10-7-3-1-6(2-4-7)9-12-8(5-11)13-14-9;/h1-4H,5,11H2,(H,12,13,14);1H |
| InChI Key | HWMYFTYUGFWJJO-UHFFFAOYSA-N |
| MDL Number | MFCD17977044 |
| Molecular Formula | C9H10ClFN4 |
| Molecular Weight | 228.6539 |
| SMILES | Cl.FC1=CC=C(C=C1)C1=NNC(=N1)CN |
| Synonyms | [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride,
EN300-70328,
1258640-50-4,
AC1Q3D8U,
MCULE-6878017015,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.655g/mol |
| Monoisotopic Mass | 228.058g/mol |
| Rotatable Bond Count | 2 |
| 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