| CAS Number | 1016771-38-2 |
| Catalog Number | AG01EL8L(AGN-PC-0WO7D9) |
| Chemical Name | 3-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-5-amine |
| IUPAC Name | 5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C8H6BrFN4/c9-4-1-2-5(6(10)3-4)7-12-8(11)14-13-7/h1-3H,(H3,11,12,13,14) |
| InChI Key | JRDOCQNZZSKQAK-UHFFFAOYSA-N |
| MDL Number | MFCD18380681 |
| Molecular Formula | C8H6BrFN4 |
| Molecular Weight | 257.0624 |
| SMILES | NC1NN=C(C2=C(F)C=C(Br)C=C2)N=1 |
| Synonyms | 3-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-5-amine,
1016771-38-2,
AC1Q52NJ,
ZINC19437215,
AKOS000174613,
AKOS008105028,
MCULE-4202439833,
NE45197,
EN300-72941,
Z1266854878,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.066g/mol |
| Monoisotopic Mass | 255.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number