| CAS Number | 299441-49-9 |
| Catalog Number | AG01AGI3(AGN-PC-0WO17E) |
| Chemical Name | 5-(5-Bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C8H5BrFN3S/c9-4-1-2-6(10)5(3-4)7-12-13-8(11)14-7/h1-3H,(H2,11,13) |
| InChI Key | UMCVQDXJMQLZEJ-UHFFFAOYSA-N |
| MDL Number | MFCD11137502 |
| Molecular Formula | C8H5BrFN3S |
| Molecular Weight | 274.1128 |
| SMILES | NC1SC(C2=C(F)C=CC(Br)=C2)=NN=1 |
| Synonyms | 5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine,
299441-49-9,
AC1Q535Y,
ZINC8726707,
AKOS000225114,
MCULE-2871188405,
NE50102,
EN300-71935,
Z1266823184,
|
| 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