2-Bromo-4-fluorophenylboronic Acid - CAS 1217501-12-6
Catalog: |
BB005262 |
Product Name: |
2-Bromo-4-fluorophenylboronic Acid |
CAS: |
1217501-12-6 |
Synonyms: |
(2-bromo-4-fluorophenyl)boronic acid; (2-bromo-4-fluorophenyl)boronic acid |
IUPAC Name: | (2-bromo-4-fluorophenyl)boronic acid |
Description: | 2-Bromo-4-fluorophenylboronic Acid (CAS# 1217501-12-6) is a useful research chemical. |
Molecular Weight: | 218.82 |
Molecular Formula: | C6H5BrFO2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)F)Br)(O)O |
InChI: | InChI=1S/C6H5BBrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,10-11H |
InChI Key: | BHXVZYJULSWULU-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 0.26800 |
Publication Number | Title | Priority Date |
US-2016137636-A1 | Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors | 20130612 |
US-9776995-B2 | Bicyclic sulfonamide compounds as sodium channel inhibitors | 20130612 |
WO-2014201173-A1 | Bicyclic sulfonamide compounds as sodium channel inhibitors | 20130612 |
EP-2788332-A1 | Bicyclic aryl and heteroaryl sodium channel inhibitors | 20111207 |
US-2013150339-A1 | Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors | 20111207 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.955 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.955 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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