Methyl 5-Bromo-3-methylthiophene-2-carboxylate - CAS 876938-56-6
Catalog: |
BB038597 |
Product Name: |
Methyl 5-Bromo-3-methylthiophene-2-carboxylate |
CAS: |
876938-56-6 |
Synonyms: |
5-bromo-3-methyl-2-thiophenecarboxylic acid methyl ester; methyl 5-bromo-3-methylthiophene-2-carboxylate |
IUPAC Name: | methyl 5-bromo-3-methylthiophene-2-carboxylate |
Description: | Methyl 5-Bromo-3-methylthiophene-2-carboxylate (CAS# 876938-56-6) is a useful intermediate that is used in the synthetic preparation of thienopyrrolidone derivatives. |
Molecular Weight: | 235.10 |
Molecular Formula: | C7H7BrO2S |
Canonical SMILES: | CC1=C(SC(=C1)Br)C(=O)OC |
InChI: | InChI=1S/C7H7BrO2S/c1-4-3-5(8)11-6(4)7(9)10-2/h3H,1-2H3 |
InChI Key: | SHCAFAUPTCPXRD-UHFFFAOYSA-N |
LogP: | 2.60560 |
Publication Number | Title | Priority Date |
TW-202000674-A | Fused thiophene compounds | 20180613 |
US-2020000814-A1 | Fused thiophene compounds | 20180613 |
WO-2019241271-A1 | Fused thiophene compounds | 20180613 |
AU-2019284605-A1 | Fused thiophene compounds | 20180613 |
CN-112601751-A | Fused thiophene compounds | 20180613 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.93501 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.93501 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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