| CAS Number | 876866-75-0 |
| Catalog Number | AG019PGR |
| Chemical Name | (2-[(4-Chlorophenoxy)methyl]-1,3-thiazol-4-yl)acetic acid |
| IUPAC Name | 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C12H10ClNO3S/c13-8-1-3-10(4-2-8)17-6-11-14-9(7-18-11)5-12(15)16/h1-4,7H,5-6H2,(H,15,16) |
| InChI Key | IYHBMODYRFZOHK-UHFFFAOYSA-N |
| MDL Number | MFCD06858085 |
| Molecular Formula | C12H10ClNO3S |
| Molecular Weight | 283.7307 |
| SMILES | OC(CC1N=C(COC2=CC=C(Cl)C=C2)SC=1)=O |
| Synonyms | 2-[2-(4-chlorophenoxymethyl)-1,3-thiazol-4-yl]acetic acid,
876866-75-0,
{2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl}acetic acid,
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic Acid,
2-{2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl}acetic acid,
AC1NLFZD,
AC1Q751H,
CTK7J2508,
ZINC4219197,
AKOS001204828,
MCULE-8972052230,
NE35752,
EN300-23569,
Z166605778,
CID4980720,
4-Thiazoleacetic acid, 2-[(4-chlorophenoxy)methyl],
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.726g/mol |
| Monoisotopic Mass | 283.007g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number