| CAS Number | 1082312-23-9 |
| Catalog Number | AG019WJN |
| Chemical Name | 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbaldehyde |
| IUPAC Name | 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbaldehyde |
| InChI | InChI=1S/C11H8ClNO2S/c12-8-1-3-10(4-2-8)15-6-11-13-9(5-14)7-16-11/h1-5,7H,6H2 |
| InChI Key | WVGLEIDTMTVAAA-UHFFFAOYSA-N |
| MDL Number | MFCD11587925 |
| Molecular Formula | C11H8ClNO2S |
| Molecular Weight | 253.7047 |
| SMILES | ClC1=CC=C(OCC2SC=C(C=O)N=2)C=C1 |
| Synonyms | 2-(4-chlorophenoxymethyl)-1,3-thiazole-4-carbaldehyde,
1082312-23-9,
AC1Q3JUI,
CTK7I0504,
ZINC19723147,
AKOS022220047,
MCULE-4391453261,
NE35157,
EN300-52187,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.7g/mol |
| Monoisotopic Mass | 252.996g/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
Certificate of Analysis
Lot Number