| CAS Number | 953897-50-2 |
| Catalog Number | AG019UFR |
| Chemical Name | N-(5-amino-2-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)acetamide |
| IUPAC Name | N-(5-amino-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide |
| InChI | InChI=1S/C10H10FN5O/c11-8-2-1-7(12)3-9(8)15-10(17)4-16-6-13-5-14-16/h1-3,5-6H,4,12H2,(H,15,17) |
| InChI Key | FJKVYMUDGRYHFM-UHFFFAOYSA-N |
| MDL Number | MFCD09730783 |
| Molecular Formula | C10H10FN5O |
| Molecular Weight | 235.2177 |
| SMILES | NC1=CC(NC(CN2N=CN=C2)=O)=C(F)C=C1 |
| Synonyms | N-(5-amino-2-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)acetamide,
953897-50-2,
AC1Q51Q2,
CTK7G4870,
ZINC22170642,
AKOS000141850,
MCULE-2214109926,
NE51620,
EN300-41542,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.222g/mol |
| Monoisotopic Mass | 235.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number