4-Chloro-3-(morpholine-4-carbonyl)phenylboronic Acid - CAS 871332-71-7
Catalog: |
BB038294 |
Product Name: |
4-Chloro-3-(morpholine-4-carbonyl)phenylboronic Acid |
CAS: |
871332-71-7 |
Synonyms: |
[4-chloro-3-[4-morpholinyl(oxo)methyl]phenyl]boronic acid; [4-chloro-3-(morpholine-4-carbonyl)phenyl]boronic acid |
IUPAC Name: | [4-chloro-3-(morpholine-4-carbonyl)phenyl]boronic acid |
Description: | 4-Chloro-3-(morpholine-4-carbonyl)phenylboronic Acid (CAS# 871332-71-7) is a useful research chemical. |
Molecular Weight: | 269.49 |
Molecular Formula: | C11H13ClNO4B |
Canonical SMILES: | B(C1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)(O)O |
InChI: | InChI=1S/C11H13BClNO4/c13-10-2-1-8(12(16)17)7-9(10)11(15)14-3-5-18-6-4-14/h1-2,7,16-17H,3-6H2 |
InChI Key: | SWIHOHJBUZBINE-UHFFFAOYSA-N |
MDL: | MFCD07783863 |
LogP: | -0.56990 |
Publication Number | Title | Priority Date |
AU-2017366901-A1 | Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases | 20161130 |
BR-112019011044-A2 | Substituted Pyrazole Compounds and Methods of Use in the Treatment of Hyperproliferative Diseases | 20161130 |
CN-110603254-A | Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases | 20161130 |
EP-3548482-A1 | Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases | 20161130 |
US-2019345152-A1 | Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases | 20161130 |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.0626158 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.0626158 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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