| CAS Number | 842137-54-6 |
| Catalog Number | AG01A858(AGN-PC-07B6KX) |
| Chemical Name | Methyl 4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoate |
| IUPAC Name | methyl 4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoate |
| InChI | InChI=1S/C12H10ClNO2S/c1-16-12(15)9-4-2-8(3-5-9)11-14-10(6-13)7-17-11/h2-5,7H,6H2,1H3 |
| InChI Key | HSIQBQCTBQYWJZ-UHFFFAOYSA-N |
| MDL Number | MFCD09758989 |
| Molecular Formula | C12H10ClNO2S |
| Molecular Weight | 267.7313 |
| SMILES | ClCC=1N=C(SC1)C1=CC=C(C(=O)OC)C=C1 |
| Synonyms | methyl 4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoate,
842137-54-6,
AC1Q436N,
SCHEMBL1177024,
CTK6H6760,
HSIQBQCTBQYWJZ-UHFFFAOYSA-N,
ZINC39320577,
AKOS015995802,
NE20624,
EN300-60760,
4-(4-Chloromethylthiazol-2-yl)benzoic acid methyl ester,
Benzoic acid, 4-[4-(chloromethyl)-2-thiazolyl]-, methyl ester,
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| Complexity | 269 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.727g/mol |
| Monoisotopic Mass | 267.012g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number