| CAS Number | 229343-22-0 |
| Catalog Number | AG002LKF(AGN-PC-013OIF) |
| Chemical Name | 3-Chloro-5-methylthiophene-2-carboxylic acid |
| IUPAC Name | 3-chloro-5-methylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H5ClO2S/c1-3-2-4(7)5(10-3)6(8)9/h2H,1H3,(H,8,9) |
| InChI Key | BVJIMVUEBVROJS-UHFFFAOYSA-N |
| MDL Number | MFCD08695654 |
| Molecular Formula | C6H5ClO2S |
| Molecular Weight | 176.6207 |
| SMILES | CC1SC(C(O)=O)=C(Cl)C=1 |
| Synonyms | 3-Chloro-5-methylthiophene-2-carboxylic acid,
229343-22-0,
3-chloro-5-methyl-2-thiophenecarboxylic acid,
SCHEMBL6592873,
BVJIMVUEBVROJS-UHFFFAOYSA-N,
FCH862815,
ZINC39296111,
2-carboxy-3-chloro-5-methylthiophene,
AKOS000282038,
AJ-99697,
AX8290278,
2-Thiophenecarboxylic acid, 3-chloro-5-methyl-,
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| Complexity | 151 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.614g/mol |
| Monoisotopic Mass | 175.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number