| CAS Number | 1173897-83-0 |
| Catalog Number | AG00HDYD |
| Chemical Name | 4,5-dichloro-2-thiazolecarboxaldehyde |
| IUPAC Name | 4,5-dichloro-1,3-thiazole-2-carbaldehyde |
| InChI | InChI=1S/C4HCl2NOS/c5-3-4(6)9-2(1-8)7-3/h1H |
| InChI Key | RJGXURZAPLEJGL-UHFFFAOYSA-N |
| MDL Number | MFCD19440498 |
| Molecular Formula | C4HCl2NOS |
| Molecular Weight | 182.0278 |
| SMILES | C(=O)c1nc(c(s1)Cl)Cl |
| Synonyms | 4,5-dichloro-2-Thiazolecarboxaldehyde,
1173897-83-0,
4,5-Dichlorothiazole-2-carbaldehyde,
4,5-Dichloro-2-formylthiazole,
SCHEMBL3714259,
ZINC167861834,
SB18563,
2-Thiazolecarboxaldehyde, 4,5-dichloro-,
CS-0056854,
FT-0766407,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.018g/mol |
| Monoisotopic Mass | 180.916g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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