| CAS Number | 222169-16-6 |
| Catalog Number | AG00BJZC |
| Chemical Name | 1-(2-chloro-4-methylthiazol-5-yl)ethan-1-one |
| IUPAC Name | 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)ethanone |
| InChI | InChI=1S/C6H6ClNOS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3 |
| InChI Key | JBKAOWGYPFNURU-UHFFFAOYSA-N |
| MDL Number | MFCD22479332 |
| Molecular Formula | C6H6ClNOS |
| Molecular Weight | 175.6359 |
| SMILES | Clc1nc(c(s1)C(=O)C)C |
| Synonyms | 1-(2-chloro-4-methylthiazol-5-yl)ethanone,
222169-16-6,
1-(2-chloro-4-methylthiazol-5-yl)ethan-1-one,
SCHEMBL8480288,
MFCD22479332,
CS-0059745,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.63g/mol |
| Monoisotopic Mass | 174.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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