| CAS Number | 851879-29-3 |
| Catalog Number | AG00IDKL |
| Chemical Name | [2-(3-Bromophenyl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C11H8BrNO2S/c12-8-3-1-2-7(4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15) |
| InChI Key | IDCRSZLCNDGRCW-UHFFFAOYSA-N |
| MDL Number | MFCD06655279 |
| Molecular Formula | C11H8BrNO2S |
| Molecular Weight | 298.1557 |
| SMILES | OC(CC1N=C(C2=CC(Br)=CC=C2)SC=1)=O |
| Synonyms | 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetic Acid,
851879-29-3,
[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetic acid,
2-(2-(3-bromophenyl)thiazol-4-yl)acetic acid,
AC1M7YEV,
AC1Q750O,
CTK8F2377,
ZINC3407908,
BBL030573,
MFCD06655279,
STL239623,
AKOS002669833,
MCULE-8973525733,
NE35634,
EN300-12293,
Z85921056,
[2-(3-bromo-phenyl)-thiazol-4-yl]-acetic acid, AldrichCPR,
CID2526761,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number