2-Chloro-5-methoxyphenylboronic Acid - CAS 89694-46-2
Catalog: |
BB039570 |
Product Name: |
2-Chloro-5-methoxyphenylboronic Acid |
CAS: |
89694-46-2 |
Synonyms: |
(2-chloro-5-methoxyphenyl)boronic acid; (2-chloro-5-methoxyphenyl)boronic acid |
IUPAC Name: | (2-chloro-5-methoxyphenyl)boronic acid |
Description: | 2-Chloro-5-methoxyphenylboronic Acid (CAS# 89694-46-2) 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/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3 |
InChI Key: | REFXAANPQCJZRY-UHFFFAOYSA-N |
Boiling Point: | 354.8 ℃ at 760 mmHg |
Density: | 1.32 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06659858 |
LogP: | 0.02840 |
GHS Hazard Statement: | H302 (25%): 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-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 20201216 |
CN-111116628-A | Organic compound and organic electroluminescent device using same | 20191231 |
CN-111170974-A | Host compound and electroluminescent device using same | 20191231 |
CN-112574224-A | KRAS G12C inhibitor and application thereof | 20190930 |
WO-2021063346-A1 | Kras g12c inhibitor and application thereof | 20190930 |
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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