Methyl 4-Bromo-3-hydroxy-5-methylthiophene-2-carboxylate - CAS 113589-26-7
Catalog: |
BB003203 |
Product Name: |
Methyl 4-Bromo-3-hydroxy-5-methylthiophene-2-carboxylate |
CAS: |
113589-26-7 |
Synonyms: |
4-bromo-3-hydroxy-5-methyl-2-thiophenecarboxylic acid methyl ester; methyl 4-bromo-3-hydroxy-5-methylthiophene-2-carboxylate |
IUPAC Name: | methyl 4-bromo-3-hydroxy-5-methylthiophene-2-carboxylate |
Description: | Methyl 4-Bromo-3-hydroxy-5-methylthiophene-2-carboxylate (CAS# 113589-26-7) is a useful research chemical. |
Molecular Weight: | 251.10 |
Molecular Formula: | C7H7BrO3S |
Canonical SMILES: | CC1=C(C(=C(S1)C(=O)OC)O)Br |
InChI: | InChI=1S/C7H7BrO3S/c1-3-4(8)5(9)6(12-3)7(10)11-2/h9H,1-2H3 |
InChI Key: | BHECESYNGLJWQG-UHFFFAOYSA-N |
MDL: | MFCD17012774 |
LogP: | 2.31120 |
Publication Number | Title | Priority Date |
KR-20050019739-A | Remedies for neurodegenerative diseases | 20020611 |
KR-20050019738-A | NF-κB activation inhibitors | 20020610 |
KR-20050023297-A | Therapeutic agent for cancer | 20020610 |
CA-1320208-C | N-1h-tetrazol-5-yl-2-thiophenecarboxamides, n-1h-tetrazol-5-yl-2-pyrrolecarboxamides, n-1h-tetrazol-5-yl-2-furancarboxamides | 19860613 |
EP-0249236-A1 | N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof | 19860613 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.92993 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.92993 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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