3-Fluoro-4-(trifluoromethoxy)phenylboronic Acid - CAS 187804-79-1
Catalog: |
BB014448 |
Product Name: |
3-Fluoro-4-(trifluoromethoxy)phenylboronic Acid |
CAS: |
187804-79-1 |
Synonyms: |
[3-fluoro-4-(trifluoromethoxy)phenyl]boronic acid; [3-fluoro-4-(trifluoromethoxy)phenyl]boronic acid |
IUPAC Name: | [3-fluoro-4-(trifluoromethoxy)phenyl]boronic acid |
Description: | 3-Fluoro-4-(trifluoromethoxy)phenylboronic Acid (CAS# 187804-79-1) is a useful research chemical. |
Molecular Weight: | 223.92 |
Molecular Formula: | C7H5F4O3B |
Canonical SMILES: | B(C1=CC(=C(C=C1)OC(F)(F)F)F)(O)O |
InChI: | InChI=1S/C7H5BF4O3/c9-5-3-4(8(13)14)1-2-6(5)15-7(10,11)12/h1-3,13-14H |
InChI Key: | VDEVIIGZNWVCOR-UHFFFAOYSA-N |
Boiling Point: | 267.1 °C at 760 mmHg |
Density: | 1.48 g/cm3 |
LogP: | 0.40410 |
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 |
WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
WO-2021063914-A1 | 4-quinolinone antibacterial compounds | 20190930 |
US-2020392154-A1 | Pyridine carbamates and their use as glun2b receptor modulators | 20190614 |
WO-2020249799-A1 | Pyridine carbamates and their use as glun2b receptor modulators | 20190614 |
US-2020347043-A1 | Modulators of the integrated stress pathway | 20190430 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0267868 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0267868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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