3-Chloro-4-methoxycarbonylphenylboronic Acid - CAS 603122-82-3
Catalog: |
BB030646 |
Product Name: |
3-Chloro-4-methoxycarbonylphenylboronic Acid |
CAS: |
603122-82-3 |
Synonyms: |
(3-chloro-4-methoxycarbonylphenyl)boronic acid; (3-chloro-4-methoxycarbonylphenyl)boronic acid |
IUPAC Name: | (3-chloro-4-methoxycarbonylphenyl)boronic acid |
Description: | 3-Chloro-4-methoxycarbonylphenylboronic Acid (CAS# 603122-82-3) is a useful research chemical. |
Molecular Weight: | 214.41 |
Molecular Formula: | C8H8ClO4B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C(=O)OC)Cl)(O)O |
InChI: | InChI=1S/C8H8BClO4/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,12-13H,1H3 |
InChI Key: | DJOMWLVGTUQULT-UHFFFAOYSA-N |
Boiling Point: | 384.364 °C at 760 mmHg |
Density: | 1.39 g/cm3 |
MDL: | MFCD06659874 |
LogP: | -0.19360 |
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-112812114-A | Isoxazole derivative, pharmaceutical composition containing isoxazole derivative, and preparation method and application of isoxazole derivative | 20191115 |
WO-2021050555-A1 | Compositions and uses thereof | 20190910 |
AU-2018272359-A1 | Lactam compound as FXR receptor agonist | 20170526 |
CA-3064794-A1 | Lactam compound as fxr receptor agonist | 20170526 |
CN-110662743-A | Lactam compounds as FXR receptor agonists | 20170526 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0204166 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0204166 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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