4-Chloro-3-(methoxycarbonyl)phenylboronic Acid - CAS 874219-45-1
Catalog: |
BB038435 |
Product Name: |
4-Chloro-3-(methoxycarbonyl)phenylboronic Acid |
CAS: |
874219-45-1 |
Synonyms: |
(4-chloro-3-methoxycarbonylphenyl)boronic acid; (4-chloro-3-methoxycarbonylphenyl)boronic acid |
IUPAC Name: | (4-chloro-3-methoxycarbonylphenyl)boronic acid |
Description: | 4-Chloro-3-(methoxycarbonyl)phenylboronic Acid (CAS# 874219-45-1) is a useful research chemical. |
Molecular Weight: | 214.41 |
Molecular Formula: | C8H8ClO4B |
Canonical SMILES: | B(C1=CC(=C(C=C1)Cl)C(=O)OC)(O)O |
InChI: | InChI=1S/C8H8BClO4/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,12-13H,1H3 |
InChI Key: | YEPWHDGFBVDINZ-UHFFFAOYSA-N |
Boiling Point: | 384.205 ℃ at 760 mmHg |
Density: | 1.39 g/cm3 |
Appearance: | White solid |
MDL: | MFCD06801690 |
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 |
WO-2020164993-A1 | Pesticidally active pyrazole derivatives | 20190213 |
WO-2020164994-A1 | Pesticidally active pyrazole derivatives | 20190213 |
CN-111050559-A | Pesticidally active pyrazole derivatives | 20170811 |
EP-3664611-A1 | Pesticidally active pyrazole derivatives | 20170811 |
WO-2019030359-A1 | PYRAZOLE DERIVATIVES WITH PESTICIDE ACTIVITY | 20170811 |
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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