2-Chloro-6-fluorophenylboronic Acid - CAS 313545-32-3
Catalog: |
BB020890 |
Product Name: |
2-Chloro-6-fluorophenylboronic Acid |
CAS: |
313545-32-3 |
Synonyms: |
(2-chloro-6-fluorophenyl)boronic acid; (2-chloro-6-fluorophenyl)boronic acid |
IUPAC Name: | (2-chloro-6-fluorophenyl)boronic acid |
Description: | Reactant for: Suzuki coupling; Preparation of cellular checkpoint kinase Wee1 binding affectors. |
Molecular Weight: | 174.37 |
Molecular Formula: | C6H5ClFO2B |
Canonical SMILES: | B(C1=C(C=CC=C1Cl)F)(O)O |
InChI: | InChI=1S/C6H5BClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H |
InChI Key: | NXSZSZJWZVLHAY-UHFFFAOYSA-N |
Boiling Point: | 299.8 °C at 760 mmHg |
Melting Point: | 131-135 °C (lit.) |
Density: | 1.41 g/cm3 |
MDL: | MFCD04039892 |
LogP: | 0.15890 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015266875-A1 | Tyk2 inhibitors and uses thereof | 20140228 |
WO-2015131080-A1 | Tyk2 inhibitors and uses thereof | 20140228 |
EP-2738172-A1 | New bicyclic compounds as crac channel modulators | 20121128 |
EP-2900657-A1 | Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20120926 |
US-2014088117-A1 | Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20120926 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0055154 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0055154 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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