| CAS Number | 1519255-52-7 |
| Catalog Number | AG01ACRJ(AGN-PC-0WO9ZO) |
| Chemical Name | Methyl 5-bromo-4-methylthiophene-3-carboxylate |
| IUPAC Name | methyl 5-bromo-4-methylthiophene-3-carboxylate |
| InChI | InChI=1S/C7H7BrO2S/c1-4-5(7(9)10-2)3-11-6(4)8/h3H,1-2H3 |
| InChI Key | KCEGSCLXZUDMMM-UHFFFAOYSA-N |
| MDL Number | MFCD24107254 |
| Molecular Formula | C7H7BrO2S |
| Molecular Weight | 235.0983 |
| SMILES | COC(C1C(C)=C(Br)SC=1)=O |
| Synonyms | methyl 5-bromo-4-methylthiophene-3-carboxylate,
1519255-52-7,
SCHEMBL16212689,
KCEGSCLXZUDMMM-UHFFFAOYSA-N,
ZINC95883543,
AKOS020007280,
NE20448,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.095g/mol |
| Monoisotopic Mass | 233.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number