2-Cyano-4-methoxyphenylboronic Acid - CAS 1233968-22-3
Catalog: |
BB005676 |
Product Name: |
2-Cyano-4-methoxyphenylboronic Acid |
CAS: |
1233968-22-3 |
Synonyms: |
(2-cyano-4-methoxyphenyl)boronic acid; (2-cyano-4-methoxyphenyl)boronic acid |
IUPAC Name: | (2-cyano-4-methoxyphenyl)boronic acid |
Description: | 2-Cyano-4-methoxyphenylboronic Acid (CAS# 1233968-22-3) is a useful research chemical. |
Molecular Weight: | 176.97 |
Molecular Formula: | C8H8NO3B |
Canonical SMILES: | B(C1=C(C=C(C=C1)OC)C#N)(O)O |
InChI: | InChI=1S/C8H8BNO3/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-4,11-12H,1H3 |
InChI Key: | GZCUBWKIKPSBPB-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | -0.75332 |
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: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0597233 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0597233 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 73.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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