| CAS Number | 901122-44-9 |
| Catalog Number | AG00IG0Z(AGN-PC-0WG4Q5) |
| Chemical Name | 2-Bromo-Imidazo[5,1-B]Thiazole-7-Carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylate |
| InChI | InChI=1S/C8H7BrN2O2S/c1-2-13-8(12)6-7-11(4-10-6)3-5(9)14-7/h3-4H,2H2,1H3 |
| InChI Key | DMUMAAIQJXASCL-UHFFFAOYSA-N |
| MDL Number | MFCD18089869 |
| Molecular Formula | C8H7BrN2O2S |
| Molecular Weight | 275.1224 |
| SMILES | BrC1=CN2C(S1)=C(N=C2)C(=O)OCC |
| Synonyms | ethyl 2-bromoimidazo[5,1-b]thiazole-7-carboxylate,
901122-44-9,
2-Bromo-Imidazo[5,1-B]Thiazole-7-Carboxylic Acid Ethyl Ester,
SCHEMBL1405880,
DMUMAAIQJXASCL-UHFFFAOYSA-N,
MFCD18089869,
ZINC91303496,
AM805243,
CS-0037344,
ethyl 2-bromoimidazo[5,1-b] thiazole-7-carboxylate,
2-Bromo-imidazo[5,1-b]thiazole-7-carboxylicacidethylester,
2-Bromoimidazo[5,1-b]thiazole-7-carboxylic acid ethyl ester,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.12g/mol |
| Monoisotopic Mass | 273.941g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number