| CAS Number | 1379296-36-2 |
| Catalog Number | AG00144K(AGN-PC-0WD4H0) |
| Chemical Name | 2-CHLORO-5-METHYLTHIAZOLE-4-CARBALDEHYDE |
| IUPAC Name | 2-chloro-5-methyl-1,3-thiazole-4-carbaldehyde |
| InChI | InChI=1S/C5H4ClNOS/c1-3-4(2-8)7-5(6)9-3/h2H,1H3 |
| InChI Key | VVDBHPQFMSDLEK-UHFFFAOYSA-N |
| MDL Number | MFCD20039195 |
| Molecular Formula | C5H4ClNOS |
| Molecular Weight | 161.6094 |
| SMILES | O=Cc1nc(sc1C)Cl |
| Synonyms | 2-Chloro-5-methylthiazole-4-carbaldehyde,
1379296-36-2,
ZINC95930443,
FCH1315127,
AX8283348,
4-Thiazolecarboxaldehyde, 2-chloro-5-methyl-,
AJ-136348,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.970213g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.61g/mol |
| Monoisotopic Mass | 160.970213g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number