2-Chloro-4-cyanophenylboronic Acid - CAS 677743-50-9
Catalog: |
BB033394 |
Product Name: |
2-Chloro-4-cyanophenylboronic Acid |
CAS: |
677743-50-9 |
Synonyms: |
(2-chloro-4-cyanophenyl)boronic acid; (2-chloro-4-cyanophenyl)boronic acid |
IUPAC Name: | (2-chloro-4-cyanophenyl)boronic acid |
Description: | 2-Chloro-4-cyanophenylboronic Acid (CAS# 677743-50-9) is an intermediate used to prepare fused imidazole derivatives as TTK kinase inhibitors. It is also used in the synthesis of pyrimidothiophenes as HSP90 inhibitors. |
Molecular Weight: | 181.38 |
Molecular Formula: | C7H5ClNO2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C#N)Cl)(O)O |
InChI: | InChI=1S/C7H5BClNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,11-12H |
InChI Key: | MSCQYLAIRMCGGF-UHFFFAOYSA-N |
LogP: | -0.10852 |
Publication Number | Title | Priority Date |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2020186220-A1 | Compounds as inhibitors of macrophage migration inhibitory factor | 20190313 |
US-2020155538-A1 | Quinoline derivatives | 20181030 |
US-2020155563-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20181030 |
US-2020165248-A1 | Imidazopyridine derivatives | 20181030 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0101863 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0101863 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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