4-Hexylphenylboronic Acid - CAS 105365-50-2
Catalog: |
BB001616 |
Product Name: |
4-Hexylphenylboronic Acid |
CAS: |
105365-50-2 |
Synonyms: |
(4-hexylphenyl)boronic acid; (4-hexylphenyl)boronic acid |
IUPAC Name: | (4-hexylphenyl)boronic acid |
Description: | 4-Hexylphenylboronic Acid (CAS# 105365-50-2) is a useful research chemical. |
Molecular Weight: | 206.09 |
Molecular Formula: | C12H19O2B |
Canonical SMILES: | B(C1=CC=C(C=C1)CCCCCC)(O)O |
InChI: | InChI=1S/C12H19BO2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10,14-15H,2-6H2,1H3 |
InChI Key: | CFYBKGAFWFRFRJ-UHFFFAOYSA-N |
Boiling Point: | 342.6 °C at 760 mmHg |
Density: | 1 g/cm3 |
MDL: | MFCD04039029 |
LogP: | 1.48920 |
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-2021019051-A1 | Inhibitors of human atgl | 20190730 |
KR-20200092211-A | Novel compound and organic light emitting device comprising the same | 20190124 |
JP-2020019766-A | Compound and method for producing the same | 20180723 |
JP-2020021063-A | Optical filter and display device | 20180723 |
WO-2020022134-A1 | Compound and method for producing same | 20180723 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.1478100 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.1478100 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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