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

Technical Data

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Computed Properties

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

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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