2,3,6-Trimethoxyphenylboronic Acid - CAS 380430-67-1
Catalog: |
BB023514 |
Product Name: |
2,3,6-Trimethoxyphenylboronic Acid |
CAS: |
380430-67-1 |
Synonyms: |
(2,3,6-trimethoxyphenyl)boronic acid; (2,3,6-trimethoxyphenyl)boronic acid |
IUPAC Name: | (2,3,6-trimethoxyphenyl)boronic acid |
Description: | 2,3,6-Trimethoxyphenylboronic Acid (CAS# 380430-67-1) is a useful research chemical. |
Molecular Weight: | 212.01 |
Molecular Formula: | C9H13O5B |
Canonical SMILES: | B(C1=C(C=CC(=C1OC)OC)OC)(O)O |
InChI: | InChI=1S/C9H13BO5/c1-13-6-4-5-7(14-2)9(15-3)8(6)10(11)12/h4-5,11-12H,1-3H3 |
InChI Key: | PBJYOPCURLYSAG-UHFFFAOYSA-N |
Boiling Point: | 405.7 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03411944 |
LogP: | -0.60780 |
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-2020165249-A1 | Functionalized heterocycles as antiviral agents | 20181121 |
WO-2020106816-A1 | Functionalized heterocycles as antiviral agents | 20181121 |
TW-202033524-A | Functionalized heterocycles as antiviral agents | 20181121 |
CN-113271946-A | Functionalized heterocyclic compounds as antiviral agents | 20181121 |
EP-3883570-A1 | Functionalized heterocycles as antiviral agents | 20181121 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0856037 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0856037 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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