5-Cyano-2-methoxyphenylboronic Acid - CAS 612833-37-1
Catalog: |
BB031039 |
Product Name: |
5-Cyano-2-methoxyphenylboronic Acid |
CAS: |
612833-37-1 |
Synonyms: |
(5-cyano-2-methoxyphenyl)boronic acid; (5-cyano-2-methoxyphenyl)boronic acid |
IUPAC Name: | (5-cyano-2-methoxyphenyl)boronic acid |
Description: | 5-Cyano-2-methoxyphenylboronic Acid (CAS# 612833-37-1) is a useful research chemical. |
Molecular Weight: | 176.97 |
Molecular Formula: | C8H8NO3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)C#N)OC)(O)O |
InChI: | InChI=1S/C8H8BNO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,11-12H,1H3 |
InChI Key: | LDZCPLGOLLHOON-UHFFFAOYSA-N |
LogP: | -0.75332 |
Publication Number | Title | Priority Date |
WO-2021136742-A1 | Herbicidal compounds | 20200102 |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
EP-3612522-A1 | Therapeutic compounds | 20170418 |
US-10617680-B2 | Therapeutic compounds | 20170418 |
US-2018296543-A1 | Therapeutic compounds | 20170418 |
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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