2-Chloro-3-methoxyphenylboronic Acid - CAS 854778-30-6
Catalog: |
BB037629 |
Product Name: |
2-Chloro-3-methoxyphenylboronic Acid |
CAS: |
854778-30-6 |
Synonyms: |
(2-chloro-3-methoxyphenyl)boronic acid; (2-chloro-3-methoxyphenyl)boronic acid |
IUPAC Name: | (2-chloro-3-methoxyphenyl)boronic acid |
Description: | 2-Chloro-3-methoxyphenylboronic Acid (CAS# 854778-30-6) is a useful research chemical. |
Molecular Weight: | 186.40 |
Molecular Formula: | C7H8ClO3B |
Canonical SMILES: | B(C1=C(C(=CC=C1)OC)Cl)(O)O |
InChI: | InChI=1S/C7H8BClO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3 |
InChI Key: | ZDWONVAXOXYOJK-UHFFFAOYSA-N |
LogP: | 0.02840 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111675626-A | Ionone alkaloid derivative and medical application thereof | 20200319 |
CN-112778276-A | Compound as SHP2 inhibitor and application thereof | 20191108 |
WO-2021088945-A1 | Compound as shp2 inhibitor and use thereof | 20191108 |
WO-2020186220-A1 | Compounds as inhibitors of macrophage migration inhibitory factor | 20190313 |
WO-2020132071-A1 | Compounds that interact with the ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and f1brotic disease | 20181219 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0255020 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0255020 |
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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