| CAS Number | 57709-54-3 |
| Catalog Number | AG01C3R1(AGN-PC-03GNTQ) |
| Chemical Name | 2-bromo-5-(4-methoxyphenyl)-1,3,4-thiadiazole |
| IUPAC Name | 2-bromo-5-(4-methoxyphenyl)-1,3,4-thiadiazole |
| InChI | InChI=1S/C9H7BrN2OS/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3 |
| InChI Key | CSJMDWGXEYTNIH-UHFFFAOYSA-N |
| MDL Number | MFCD08436699 |
| Molecular Formula | C9H7BrN2OS |
| Molecular Weight | 271.1337 |
| SMILES | COC1=CC=C(C2SC(Br)=NN=2)C=C1 |
| Synonyms | 2-bromo-5-(4-methoxyphenyl)-1,3,4-thiadiazole,
57709-54-3,
ZINC11920545,
AKOS012689974,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.132g/mol |
| Monoisotopic Mass | 269.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number