| CAS Number | 1225504-35-7 |
| Catalog Number | AG00HGS2(AGN-PC-0WP1Q9) |
| Chemical Name | [2-(2-Chlorobenzyl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C12H10ClNO2S/c13-10-4-2-1-3-8(10)5-11-14-9(7-17-11)6-12(15)16/h1-4,7H,5-6H2,(H,15,16) |
| InChI Key | WFIYSPPNIFDKSL-UHFFFAOYSA-N |
| MDL Number | MFCD14539734 |
| Molecular Formula | C12H10ClNO2S |
| Molecular Weight | 267.7313 |
| SMILES | OC(=O)Cc1csc(n1)Cc1ccccc1Cl |
| Synonyms | 1225504-35-7,
[2-(2-Chlorobenzyl)-1,3-thiazol-4-yl]acetic acid,
2-(2-(2-Chlorobenzyl)thiazol-4-yl)acetic acid,
AKOS011055563,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.727g/mol |
| Monoisotopic Mass | 267.012g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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