| CAS Number | 900587-78-2 |
| Catalog Number | AG01AUL8 |
| Chemical Name | 4-(4-bromophenyl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-(4-bromophenyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C10H6BrNO2S/c11-7-3-1-6(2-4-7)8-9(10(13)14)15-5-12-8/h1-5H,(H,13,14) |
| InChI Key | IDJRKFDUWIEMRM-UHFFFAOYSA-N |
| MDL Number | MFCD17238316 |
| Molecular Formula | C10H6BrNO2S |
| Molecular Weight | 284.1291 |
| SMILES | OC(C1=C(C2=CC=C(Br)C=C2)N=CS1)=O |
| Synonyms | 4-(4-bromophenyl)-1,3-thiazole-5-carboxylic acid,
900587-78-2,
SCHEMBL14711219,
ZINC57592889,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.127g/mol |
| Monoisotopic Mass | 282.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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