| CAS Number | 949259-81-8 |
| Catalog Number | AG019KWM |
| Chemical Name | 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C11H8ClNO3S/c12-7-1-3-8(4-2-7)16-5-10-13-9(6-17-10)11(14)15/h1-4,6H,5H2,(H,14,15) |
| InChI Key | UOTHAPWMGICKEA-UHFFFAOYSA-N |
| MDL Number | MFCD09802074 |
| Molecular Formula | C11H8ClNO3S |
| Molecular Weight | 269.7041 |
| SMILES | OC(C1N=C(COC2=CC=C(Cl)C=C2)SC=1)=O |
| Synonyms | 2-(4-chlorophenoxymethyl)-1,3-thiazole-4-carboxylic acid,
2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid,
949259-81-8,
SCHEMBL11703618,
CTK6H0796,
AC1Q7430,
ZINC12505833,
AKOS009143107,
MCULE-5426501484,
NE59298,
EN300-28810,
Z235362209,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.699g/mol |
| Monoisotopic Mass | 268.991g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number