| CAS Number | 1086380-14-4 |
| Catalog Number | AG00HB6S(AGN-PC-0WNLUO) |
| Chemical Name | 2-[(2-Bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO2S/c12-8-4-2-1-3-7(8)5-10-13-9(6-16-10)11(14)15/h1-4,6H,5H2,(H,14,15) |
| InChI Key | BRVJCKIEHLUATA-UHFFFAOYSA-N |
| MDL Number | MFCD09258847 |
| Molecular Formula | C11H8BrNO2S |
| Molecular Weight | 298.1557 |
| SMILES | S1C(=NC(=C1)C(=O)O)CC1C=CC=CC=1Br |
| Synonyms | 1086380-14-4,
2-(2-Bromobenzyl)-1,3-thiazole-4-carboxylic acid,
2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid,
CTK5I8731,
KS-00003GUV,
ZX-AT012977,
MFCD09258847,
SBB053117,
ZINC20357786,
AKOS012124383,
AS-5107,
OR17897,
2-(2-Bromobenzyl)-4-carboxy-1,3-thiazole,
2-(2-Bromobenzyl)-thiazole-4-carboxylic 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 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number