3-Fluoro-5-(trifluoromethyl)benzeneboronic Acid - CAS 159020-59-4
Catalog: |
BB011486 |
Product Name: |
3-Fluoro-5-(trifluoromethyl)benzeneboronic Acid |
CAS: |
159020-59-4 |
Synonyms: |
[3-fluoro-5-(trifluoromethyl)phenyl]boronic acid; [3-fluoro-5-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [3-fluoro-5-(trifluoromethyl)phenyl]boronic acid |
Description: | 3-Fluoro-5-(trifluoromethyl)benzeneboronic Acid (CAS# 159020-59-4) is a useful research chemical. |
Molecular Weight: | 207.92 |
Molecular Formula: | C7H5F4O2B |
Canonical SMILES: | B(C1=CC(=CC(=C1)F)C(F)(F)F)(O)O |
InChI: | InChI=1S/C7H5BF4O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H |
InChI Key: | WEMCWZGCSRGJGW-UHFFFAOYSA-N |
Boiling Point: | 264 °C at 760 mmHg |
Flash Point: | Not applicable |
Density: | 1.44 g/cm3 |
MDL: | MFCD06657735 |
LogP: | 0.52430 |
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 |
CN-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 20201216 |
WO-2020249785-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
US-2021017169-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
US-2021053917-A1 | Novel thyromimetics | 20190301 |
WO-2020180624-A1 | Novel thyromimetics | 20190301 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0318722 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0318722 |
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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