| CAS Number | 36157-43-4 |
| Catalog Number | AG007B84(AGN-PC-0BSYVR) |
| Chemical Name | Methyl 5-chlorothiophene-3-carboxylate |
| IUPAC Name | methyl 5-chlorothiophene-3-carboxylate |
| InChI | InChI=1S/C6H5ClO2S/c1-9-6(8)4-2-5(7)10-3-4/h2-3H,1H3 |
| InChI Key | JRMKVGZBIZHJTH-UHFFFAOYSA-N |
| MDL Number | MFCD20922775 |
| Molecular Formula | C6H5ClO2S |
| Molecular Weight | 176.6207 |
| SMILES | O=C(C1=CSC(Cl)=C1)OC |
| Synonyms | METHYL 5-CHLOROTHIOPHENE-3-CARBOXYLATE,
36157-43-4,
3-Thiophenecarboxylic acid, 5-chloro-, methyl ester,
SCHEMBL19127835,
CTK1B6469,
DTXSID60725580,
KS-000006SA,
MFCD20922775,
ZINC95630128,
AKOS019027176,
PB30437,
AS-34378,
CS-0048983,
C-8673,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.614g/mol |
| Monoisotopic Mass | 175.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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