| CAS Number | 1094456-17-3 |
| Catalog Number | AG00HBHW(AGN-PC-0WP1P7) |
| Chemical Name | [2-(2-Bromophenyl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C11H8BrNO2S/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15) |
| InChI Key | DHHVQRALNUQHBU-UHFFFAOYSA-N |
| MDL Number | MFCD11179465 |
| Molecular Formula | C11H8BrNO2S |
| Molecular Weight | 298.1557 |
| SMILES | OC(=O)Cc1csc(n1)c1ccccc1Br |
| Synonyms | 1094456-17-3,
[2-(2-Bromophenyl)-1,3-thiazol-4-yl]acetic acid,
2-(2-(2-Bromophenyl)thiazol-4-yl)acetic acid,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.154g/mol |
| Monoisotopic Mass | 296.946g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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