| CAS Number | 1258283-00-9 |
| Catalog Number | AG00HII8(AGN-PC-0WG3VT) |
| Chemical Name | 3-Chloro-4-methylthiophene-2-carbaldehyde |
| IUPAC Name | 3-chloro-4-methylthiophene-2-carbaldehyde |
| InChI | InChI=1S/C6H5ClOS/c1-4-3-9-5(2-8)6(4)7/h2-3H,1H3 |
| InChI Key | WXRJDMVPMNSPHU-UHFFFAOYSA-N |
| MDL Number | MFCD21362341 |
| Molecular Formula | C6H5ClOS |
| Molecular Weight | 160.6213 |
| SMILES | ClC1=C(SC=C1C)C=O |
| Synonyms | 3-Chloro-4-methyl-thiophene-2-carbaldehyde,
1258283-00-9,
3-chloro-4-methylthiophene-2-carbaldehyde,
SCHEMBL3718888,
MFCD21362341,
ZINC96032019,
AKOS027255486,
CS-0038194,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.615g/mol |
| Monoisotopic Mass | 159.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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