| CAS Number | 1221342-57-9 |
| Catalog Number | AG0016TV(AGN-PC-0WOO19) |
| Chemical Name | 3-[(4-bromophenyl)methyl]-5-chloro-1,2,4-thiadiazole |
| IUPAC Name | 3-[(4-bromophenyl)methyl]-5-chloro-1,2,4-thiadiazole |
| InChI | InChI=1S/C9H6BrClN2S/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2 |
| InChI Key | LEYCYYNCIIEIHN-UHFFFAOYSA-N |
| MDL Number | MFCD14707317 |
| Molecular Formula | C9H6BrClN2S |
| Molecular Weight | 289.5793 |
| SMILES | Brc1ccc(cc1)Cc1nsc(n1)Cl |
| Synonyms | 1221342-57-9,
3-[(4-bromophenyl)methyl]-5-chloro-1,2,4-thiadiazole,
3-(4-Bromobenzyl)-5-chloro-1,2,4-thiadiazole,
KS-00001KSL,
MFCD14707317,
ZINC47218895,
AKOS014601257,
T6322,
1,2,4-Thiadiazole, 3-[(4-bromophenyl)methyl]-5-chloro-,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.575g/mol |
| Monoisotopic Mass | 287.912g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number