3-Fluoro-4-(methylsulfonyl)phenylboronic Acid - CAS 648904-83-0
Catalog: |
BB032584 |
Product Name: |
3-Fluoro-4-(methylsulfonyl)phenylboronic Acid |
CAS: |
648904-83-0 |
Synonyms: |
(3-fluoro-4-methylsulfonylphenyl)boronic acid; (3-fluoro-4-methylsulfonylphenyl)boronic acid |
IUPAC Name: | (3-fluoro-4-methylsulfonylphenyl)boronic acid |
Description: | 3-Fluoro-4-(methylsulfonyl)phenylboronic Acid (CAS# 648904-83-0) is a useful research chemical. |
Molecular Weight: | 218.01 |
Molecular Formula: | C7H8FO4SB |
Canonical SMILES: | B(C1=CC(=C(C=C1)S(=O)(=O)C)F)(O)O |
InChI: | InChI=1S/C7H8BFO4S/c1-14(12,13)7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3 |
InChI Key: | RJKFNKNDTBNEST-UHFFFAOYSA-N |
LogP: | -0.01020 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020345699-A1 | Hiv protease inhibitors | 20190417 |
WO-2020214716-A1 | 2-imino-5-oxo-imidazolidine inhibitors of hiv protease | 20190417 |
KR-20200060269-A | Novel tricyclic compound as IRAK4 inhibitors | 20181121 |
WO-2020106059-A1 | Novel tricyclic compound as irak4 inhibitor | 20181121 |
EP-3885348-A1 | Novel tricyclic compound as irak4 inhibitor | 20181121 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.0220382 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.0220382 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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