| CAS Number | 120715-49-3 |
| Catalog Number | AG00HFP2(AGN-PC-0O07RT) |
| Chemical Name | 2-Thiophenecarboxylic acid, 4,5-dichloro-3-methoxy- |
| IUPAC Name | 4,5-dichloro-3-methoxythiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H4Cl2O3S/c1-11-3-2(7)5(8)12-4(3)6(9)10/h1H3,(H,9,10) |
| InChI Key | GSUFOPYPKUVCQB-UHFFFAOYSA-N |
| MDL Number | MFCD26129600 |
| Molecular Formula | C6H4Cl2O3S |
| Molecular Weight | 227.0652 |
| SMILES | O=C(C1=C(OC)C(Cl)=C(Cl)S1)O |
| Synonyms | 4,5-Dichloro-3-methoxythiophene-2-carboxylic acid,
120715-49-3,
KS-00000TKD,
MFCD26129600,
ZINC96511020,
AKOS027449498,
AK524077,
DS-19092,
2-Thiophenecarboxylic acid, 4,5-dichloro-3-methoxy-,
4,5-Dichloro-3-methoxy-thiophene-2-carboxylic acid,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.055g/mol |
| Monoisotopic Mass | 225.926g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number