| CAS Number | 632356-41-3 |
| Catalog Number | AG00ELE0(AGN-PC-03KZ0T) |
| Chemical Name | Methyl 3-amino-4-chlorothiophene-2-carboxylate |
| IUPAC Name | methyl 3-amino-4-chlorothiophene-2-carboxylate |
| InChI | InChI=1S/C6H6ClNO2S/c1-10-6(9)5-4(8)3(7)2-11-5/h2H,8H2,1H3 |
| InChI Key | UGZKUKBGCABYDB-UHFFFAOYSA-N |
| MDL Number | MFCD20702634 |
| Molecular Formula | C6H6ClNO2S |
| Molecular Weight | 191.6353 |
| SMILES | COC(C1=C(N)C(Cl)=CS1)=O |
| Synonyms | Methyl 3-amino-4-chlorothiophene-2-carboxylate,
632356-41-3,
SCHEMBL2959778,
UGZKUKBGCABYDB-UHFFFAOYSA-N,
AKOS034018997,
ZINC145726243,
FT-0707487,
Z2755724109,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.629g/mol |
| Monoisotopic Mass | 190.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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