| CAS Number | 85345-22-8 |
| Catalog Number | AG01A4KP(AGN-PC-0WO0UE) |
| Chemical Name | 2-Chloro-4-methylthiophene-3-carboxylic acid |
| IUPAC Name | 2-chloro-4-methylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H5ClO2S/c1-3-2-10-5(7)4(3)6(8)9/h2H,1H3,(H,8,9) |
| InChI Key | IOWVLJHLAVCWDP-UHFFFAOYSA-N |
| MDL Number | MFCD20658128 |
| Molecular Formula | C6H5ClO2S |
| Molecular Weight | 176.6207 |
| SMILES | CC1C(C(O)=O)=C(Cl)SC=1 |
| Synonyms | 2-chloro-4-methylthiophene-3-carboxylic acid,
85345-22-8,
SCHEMBL8304531,
ZINC34089284,
AKOS022639533,
NE53987,
|
| 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
Certificate of Analysis
Lot Number