2-Chloro-5-ethoxyphenylboronic Acid - CAS 913835-30-0
Catalog: |
BB040141 |
Product Name: |
2-Chloro-5-ethoxyphenylboronic Acid |
CAS: |
913835-30-0 |
Synonyms: |
(2-chloro-5-ethoxyphenyl)boronic acid; (2-chloro-5-ethoxyphenyl)boronic acid |
IUPAC Name: | (2-chloro-5-ethoxyphenyl)boronic acid |
Description: | 2-Chloro-5-ethoxyphenylboronic Acid (CAS# 913835-30-0) is a useful research chemical. |
Molecular Weight: | 200.43 |
Molecular Formula: | C8H10ClO3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)OCC)Cl)(O)O |
InChI: | InChI=1S/C8H10BClO3/c1-2-13-6-3-4-8(10)7(5-6)9(11)12/h3-5,11-12H,2H2,1H3 |
InChI Key: | LIFPTULDIUUUBK-UHFFFAOYSA-N |
Boiling Point: | 363.2 ℃ at 760 mmHg |
Density: | 1.27 g/cm3 |
LogP: | 0.41850 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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 |
US-10144742-B2 | Quinoxaline compounds and uses thereof | 20140418 |
US-2017174704-A1 | Quinoxaline compounds and uses thereof | 20140418 |
WO-2015161142-A1 | Quinoxaline compounds and uses thereof | 20140418 |
CA-2837146-A1 | Benzocycloheptene acetic acids | 20110606 |
EP-2718264-A1 | Benzocycloheptene acetic acids | 20110606 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0411520 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0411520 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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