methyl 4-bromothiophene-2-carboxylate - CAS 62224-16-2
Catalog: |
BB031463 |
Product Name: |
methyl 4-bromothiophene-2-carboxylate |
CAS: |
62224-16-2 |
Synonyms: |
4-bromo-2-thiophenecarboxylic acid methyl ester; methyl 4-bromothiophene-2-carboxylate |
IUPAC Name: | methyl 4-bromothiophene-2-carboxylate |
Description: | methyl 4-bromothiophene-2-carboxylate (CAS# 62224-16-2) is a useful research chemical. |
Molecular Weight: | 221.07 |
Molecular Formula: | C6H5BrO2S |
Canonical SMILES: | COC(=O)C1=CC(=CS1)Br |
InChI: | InChI=1S/C6H5BrO2S/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,1H3 |
InChI Key: | HPZXLAIWCQLSAR-UHFFFAOYSA-N |
Boiling Point: | 255 °C |
Purity: | 97.0 % |
Density: | 1.662 g/cm3 |
Appearance: | Solid |
LogP: | 2.29720 |
Publication Number | Title | Priority Date |
CN-112940004-A | Heterocyclic compound and application thereof | 20191211 |
WO-2021093820-A1 | Amide derivative and preparation method therefor and application thereof in medicine | 20191112 |
WO-2021032935-A1 | Enzyme inhibitors | 20190821 |
WO-2021032938-A1 | Enzyme inhibitors | 20190821 |
WO-2020102100-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
PMID | Publication Date | Title | Journal |
12036023 | 20020501 | Synthesis, photochemical synthesis and antitumor evaluation of novel derivatives of thieno[3',2':4,5]thieno[2,3-c]quinolones | Chemical & pharmaceutical bulletin |
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: | 2.5 |
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