Methyl 4-Bromothiophene-3-carboxylate - CAS 78071-37-1
Catalog: |
BB036109 |
Product Name: |
Methyl 4-Bromothiophene-3-carboxylate |
CAS: |
78071-37-1 |
Synonyms: |
4-bromo-3-thiophenecarboxylic acid methyl ester; methyl 4-bromothiophene-3-carboxylate |
IUPAC Name: | methyl 4-bromothiophene-3-carboxylate |
Description: | Methyl 4-Bromothiophene-3-carboxylate (CAS# 78071-37-1) is a useful research chemical. |
Molecular Weight: | 221.07 |
Molecular Formula: | C6H5BrO2S |
Canonical SMILES: | COC(=O)C1=CSC=C1Br |
InChI: | InChI=1S/C6H5BrO2S/c1-9-6(8)4-2-10-3-5(4)7/h2-3H,1H3 |
InChI Key: | MNOCCIFVTOUKEG-UHFFFAOYSA-N |
LogP: | 2.29720 |
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PMID | Publication Date | Title | Journal |
17152980 | 20061101 | [Thieno[3,4-c]quinoline-4-yl-amines--synthesis and investigation of activity against malaria] | Die Pharmazie |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.91936 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.91936 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Thiophenes
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