2-Chloro-4-formylphenylboronic Acid - CAS 1063712-34-4
Catalog: |
BB001854 |
Product Name: |
2-Chloro-4-formylphenylboronic Acid |
CAS: |
1063712-34-4 |
Synonyms: |
(2-chloro-4-formylphenyl)boronic acid; (2-chloro-4-formylphenyl)boronic acid |
IUPAC Name: | (2-chloro-4-formylphenyl)boronic acid |
Description: | 2-Chloro-4-formylphenylboronic Acid (CAS# 1063712-34-4) is used as a reactant in the preparation of antitumor adamantyl-substituted retinoid-derived molecules that interact with orphan nuclear receptors. |
Molecular Weight: | 184.38 |
Molecular Formula: | C7H6ClO3B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C=O)Cl)(O)O |
InChI: | InChI=1S/C7H6BClO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4,11-12H |
InChI Key: | TYNMABPNFSBKDN-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | -0.16770 |
Publication Number | Title | Priority Date |
EP-3632908-A1 | Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer | 20181002 |
WO-2020070181-A1 | Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer | 20181002 |
CN-113039182-A | Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment | 20181002 |
EP-3860990-A1 | Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer | 20181002 |
KR-20210072001-A | Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer | 20181002 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0098519 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0098519 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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