2-Fluoro-5-(trifluoromethoxy)phenylboronic Acid - CAS 881402-22-8
Catalog: |
BB038749 |
Product Name: |
2-Fluoro-5-(trifluoromethoxy)phenylboronic Acid |
CAS: |
881402-22-8 |
Synonyms: |
[2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid; [2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid |
IUPAC Name: | [2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid |
Description: | 2-Fluoro-5-(trifluoromethoxy)phenylboronic Acid (CAS# 881402-22-8) is a useful research chemical. |
Molecular Weight: | 223.92 |
Molecular Formula: | C7H5F4O3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)OC(F)(F)F)F)(O)O |
InChI: | InChI=1S/C7H5BF4O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H |
InChI Key: | NGTLLTDDJHXHQE-UHFFFAOYSA-N |
Boiling Point: | 279.9 °C at 760 mmHg |
Density: | 1.48 g/cm3 |
Appearance: | Beige crystalline powder |
MDL: | MFCD09027234 |
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 |
CN-111454276-A | Organic compound and electroluminescent device comprising same | 20190118 |
KR-20200090633-A | Organic compounds and electroluminescent devices containing the same | 20190118 |
US-2020231602-A1 | Organic compound and electroluminescent device containing the same | 20190118 |
US-2019374542-A1 | Kras g12c inhibitors and methods of using the same | 20180612 |
US-2019343838-A1 | Kras g12c inhibitors and methods of using the same | 20180504 |
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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