| CAS Number | 52041-97-1 |
| Catalog Number | AG00DADM(AGN-PC-09PZHP) |
| Chemical Name | 5-Bromo-2-(4-chlorophenyl)thiazole-4-carboxylic acid |
| IUPAC Name | 5-bromo-2-(4-chlorophenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C10H5BrClNO2S/c11-8-7(10(14)15)13-9(16-8)5-1-3-6(12)4-2-5/h1-4H,(H,14,15) |
| InChI Key | RNCWNWFLLSSJKD-UHFFFAOYSA-N |
| MDL Number | MFCD17214270 |
| Molecular Formula | C10H5BrClNO2S |
| Molecular Weight | 318.5742 |
| SMILES | BrC1=C(C(O)=O)N=C(C2C=CC(=CC=2)Cl)S1 |
| Synonyms | 5-BROMO-2-(4-CHLOROPHENYL)THIAZOLE-4-CARBOXYLIC ACID,
52041-97-1,
ACMC-209kxi,
C10H5BrClNO2S,
CTK4J5313,
DTXSID90682152,
ANW-31396,
MFCD17214270,
ZINC65337373,
AKOS015835160,
AJ-115116,
AX8229444,
TR-036960,
ST24023897,
V6369,
K-9536,
I04-1759,
5-bromo-2-(4-chlorophenyl)-1,3-thiazole-4-carboxylic acid,
5-Bromo-2-(4-chlorophenyl)thiazole-4-carboxylicacid,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.891g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.569g/mol |
| Monoisotopic Mass | 316.891g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number