2-Chloro-4-isopropoxyphenylboronic Acid - CAS 313545-47-0
Catalog: |
BB020892 |
Product Name: |
2-Chloro-4-isopropoxyphenylboronic Acid |
CAS: |
313545-47-0 |
Synonyms: |
(2-chloro-4-propan-2-yloxyphenyl)boronic acid; (2-chloro-4-propan-2-yloxyphenyl)boronic acid |
IUPAC Name: | (2-chloro-4-propan-2-yloxyphenyl)boronic acid |
Description: | 2-Chloro-4-isopropoxyphenylboronic Acid (CAS# 313545-47-0) is a useful research chemical. |
Molecular Weight: | 214.45 |
Molecular Formula: | C9H12ClO3B |
Canonical SMILES: | B(C1=C(C=C(C=C1)OC(C)C)Cl)(O)O |
InChI: | InChI=1S/C9H12BClO3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,12-13H,1-2H3 |
InChI Key: | OKGHQUDYWHNUKC-UHFFFAOYSA-N |
Boiling Point: | 356 °C at 760 mmHg |
Density: | 1.23 g/cm3 |
LogP: | 0.80700 |
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-2021088787-A1 | Quinazoline compound used as axl inhibitor | 20191107 |
JP-2019519564-A | Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic disorders | 20160628 |
JP-6914974-B2 | Bicyclic imidazole derivatives useful in the treatment of renal, cardiovascular, and fibrotic disorders | 20160628 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0568021 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0568021 |
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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