| CAS Number | 1250946-06-5 |
| Catalog Number | AG01AAQC(AGN-PC-0WO7V2) |
| Chemical Name | 5-(4-Bromo-3-fluorophenyl)-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-(4-bromo-3-fluorophenyl)-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C8H5BrFN3S/c9-5-2-1-4(3-6(5)10)7-12-13-8(11)14-7/h1-3H,(H2,11,13) |
| InChI Key | VIWIOINMCCYXNA-UHFFFAOYSA-N |
| MDL Number | MFCD16084789 |
| Molecular Formula | C8H5BrFN3S |
| Molecular Weight | 274.1128 |
| SMILES | NC1SC(C2=CC(F)=C(Br)C=C2)=NN=1 |
| Synonyms | 5-(4-bromo-3-fluorophenyl)-1,3,4-thiadiazol-2-amine,
1250946-06-5,
AC1Q5361,
ZINC43577398,
AKOS010972238,
NE60289,
EN300-69285,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.111g/mol |
| Monoisotopic Mass | 272.937g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number