| CAS Number | 1340313-49-6 |
| Catalog Number | AG01A05F(AGN-PC-0WO4JA) |
| Chemical Name | 2-Bromo-5-(difluoromethyl)-1,3,4-thiadiazole |
| IUPAC Name | 2-bromo-5-(difluoromethyl)-1,3,4-thiadiazole |
| InChI | InChI=1S/C3HBrF2N2S/c4-3-8-7-2(9-3)1(5)6/h1H |
| InChI Key | GQUADXWTZXHNAT-UHFFFAOYSA-N |
| MDL Number | MFCD18345064 |
| Molecular Formula | C3HBrF2N2S |
| Molecular Weight | 215.0192 |
| SMILES | BrC=1SC(=NN1)C(F)F |
| Synonyms | 2-bromo-5-(difluoromethyl)-1,3,4-thiadiazole,
1340313-49-6,
SCHEMBL17845371,
MFCD18345064,
ZINC71051418,
AKOS012690282,
MCULE-1238545205,
NE17327,
BS-13135,
2-Bromo-5-difluoromethyl-[1,3,4]thiadiazole,
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| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.016g/mol |
| Monoisotopic Mass | 213.901g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number