| CAS Number | 1250997-71-7 |
| Catalog Number | AG00HHXV(AGN-PC-0WALA2) |
| Chemical Name | Ethyl 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate |
| IUPAC Name | ethyl 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate |
| InChI | InChI=1S/C7H6BrN3O2S/c1-2-13-5(12)4-3-11-7(9-4)14-6(8)10-11/h3H,2H2,1H3 |
| InChI Key | CULJNUPGWIINQJ-UHFFFAOYSA-N |
| MDL Number | MFCD17017137 |
| Molecular Formula | C7H6BrN3O2S |
| Molecular Weight | 276.1104 |
| SMILES | O=C(C1=CN2C(SC(Br)=N2)=N1)OCC |
| Synonyms | ethyl 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate,
1250997-71-7,
2-Bromo-Imidazo[2,1-B][1,3,4]Thiadiazole-6-Carboxylic Acid Ethyl Ester,
SCHEMBL15349666,
CULJNUPGWIINQJ-UHFFFAOYSA-N,
MFCD17017137,
ZINC91303486,
AM805236,
CS-0038496,
2-Bromo-imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylicacidethylester,
tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.108g/mol |
| Monoisotopic Mass | 274.936g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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