| CAS Number | 28686-93-3 |
| Catalog Number | AG019UV7(AGN-PC-0WO5SC) |
| Chemical Name | methyl 4-(chloromethyl)-5-methylthiophene-2-carboxylate |
| IUPAC Name | methyl 4-(chloromethyl)-5-methylthiophene-2-carboxylate |
| InChI | InChI=1S/C8H9ClO2S/c1-5-6(4-9)3-7(12-5)8(10)11-2/h3H,4H2,1-2H3 |
| InChI Key | HXVNRRSHOFMWMG-UHFFFAOYSA-N |
| MDL Number | MFCD17976953 |
| Molecular Formula | C8H9ClO2S |
| Molecular Weight | 204.6739 |
| SMILES | COC(C1SC(C)=C(CCl)C=1)=O |
| Synonyms | methyl 4-(chloromethyl)-5-methylthiophene-2-carboxylate,
28686-93-3,
AC1Q4305,
ZINC57211719,
AKOS026727977,
NE16224,
EN300-42937,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.668g/mol |
| Monoisotopic Mass | 204.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number