| CAS Number | 1086380-12-2 |
| Catalog Number | AG00HB6R(AGN-PC-0WNLUN) |
| Chemical Name | 2-[(4-Bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C11H8BrNO2S/c12-8-3-1-7(2-4-8)5-10-13-9(6-16-10)11(14)15/h1-4,6H,5H2,(H,14,15) |
| InChI Key | LMETXOAKWMULCJ-UHFFFAOYSA-N |
| MDL Number | MFCD09258846 |
| Molecular Formula | C11H8BrNO2S |
| Molecular Weight | 298.1557 |
| SMILES | BrC1=CC=C(C=C1)CC=1SC=C(N1)C(=O)O |
| Synonyms | 1086380-12-2,
2-(4-Bromobenzyl)-1,3-thiazole-4-carboxylic acid,
2-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid,
CTK5I7403,
KS-00003GUQ,
ZX-AT012975,
MFCD09258846,
SBB053115,
ZINC20357785,
AKOS009330934,
AS-5102,
OR17895,
2-(4-Bromobenzyl)-4-carboxy-1,3-thiazole,
2-(4-Bromobenzyl)thiazole-4-carboxylic acid,
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| Complexity | 256 |
| 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