| CAS Number | 265652-37-7 |
| Catalog Number | AG01EL58 |
| Chemical Name | ethyl 4-bromo-3-methylthiophene-2-carboxylate |
| IUPAC Name | ethyl 4-bromo-3-methylthiophene-2-carboxylate |
| InChI | InChI=1S/C8H9BrO2S/c1-3-11-8(10)7-5(2)6(9)4-12-7/h4H,3H2,1-2H3 |
| InChI Key | BYPDJDUQFBZTNI-UHFFFAOYSA-N |
| MDL Number | MFCD26386952 |
| Molecular Formula | C8H9BrO2S |
| Molecular Weight | 249.1249 |
| SMILES | CCOC(C1=C(C)C(Br)=CS1)=O |
| Synonyms | ethyl 4-bromo-3-methylthiophene-2-carboxylate,
265652-37-7,
ethyl 4-bromo-3-methyl-2-thiophenecarboxylate,
SCHEMBL3041792,
BYPDJDUQFBZTNI-UHFFFAOYSA-N,
2-Thiophenecarboxylic acid, 4-bromo-3-methyl-, ethyl ester,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.122g/mol |
| Monoisotopic Mass | 247.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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