5-Bromo-2-(methylsulfonyl)pyridine - CAS 98626-95-0
Catalog: |
BB042201 |
Product Name: |
5-Bromo-2-(methylsulfonyl)pyridine |
CAS: |
98626-95-0 |
Synonyms: |
5-bromo-2-methylsulfonylpyridine; 5-bromo-2-methylsulfonylpyridine |
IUPAC Name: | 5-bromo-2-methylsulfonylpyridine |
Description: | 5-Bromo-2-(methylsulfonyl)pyridine (CAS# 98626-95-0) is a useful research chemical. |
Molecular Weight: | 236.09 |
Molecular Formula: | C6H6BrNO2S |
Canonical SMILES: | CS(=O)(=O)C1=NC=C(C=C1)Br |
InChI: | InChI=1S/C6H6BrNO2S/c1-11(9,10)6-3-2-5(7)4-8-6/h2-4H,1H3 |
InChI Key: | QUSHOBXANACYJY-UHFFFAOYSA-N |
Boiling Point: | 366.287 °C at 760 mmHg |
Density: | 1.679 g/cm3 |
MDL: | MFCD04974510 |
LogP: | 2.32840 |
Publication Number | Title | Priority Date |
CN-109516956-B | 5-pyrazole ketone compound and application thereof | 20170920 |
CN-110997654-A | Indole derivatives and uses thereof | 20170728 |
EP-3658546-A1 | Indole derivatives and uses thereof | 20170728 |
TW-201910325-A | Anthracene derivatives and their uses | 20170728 |
US-10654828-B2 | Indole derivatives and uses thereof | 20170728 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.93026 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.93026 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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