2-Chloro-5-propoxyphenylboronic Acid - CAS 1256346-14-1
Catalog: |
BB006157 |
Product Name: |
2-Chloro-5-propoxyphenylboronic Acid |
CAS: |
1256346-14-1 |
Synonyms: |
(2-chloro-5-propoxyphenyl)boronic acid; (2-chloro-5-propoxyphenyl)boronic acid |
IUPAC Name: | (2-chloro-5-propoxyphenyl)boronic acid |
Description: | 2-Chloro-5-propoxyphenylboronic Acid (CAS# 1256346-14-1) is a useful research chemical. |
Molecular Weight: | 214.45 |
Molecular Formula: | C9H12ClO3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)OCCC)Cl)(O)O |
InChI: | InChI=1S/C9H12BClO3/c1-2-5-14-7-3-4-9(11)8(6-7)10(12)13/h3-4,6,12-13H,2,5H2,1H3 |
InChI Key: | ZCCYRXLLDQAMRN-UHFFFAOYSA-N |
MDL: | MFCD16295074 |
LogP: | 0.80860 |
Publication Number | Title | Priority Date |
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: | 168 |
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: | 4 |
Topological Polar Surface Area: | 49.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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