4-Cyano-2-fluorophenylboronic Acid - CAS 1150114-77-4

Catalog:	BB003461
Product Name:	4-Cyano-2-fluorophenylboronic Acid
CAS:	1150114-77-4
Synonyms:	(4-cyano-2-fluorophenyl)boronic acid; (4-cyano-2-fluorophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-cyano-2-fluorophenyl)boronic acid
Description:	4-Cyano-2-fluorophenylboronic Acid (CAS# 1150114-77-4) is a useful research chemical.
Molecular Weight:	164.93
Molecular Formula:	C7H5FNO2B
Canonical SMILES:	B(C1=C(C=C(C=C1)C#N)F)(O)O
InChI:	InChI=1S/C7H5BFNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,11-12H
InChI Key:	HFAUMAIVCYTVQR-UHFFFAOYSA-N
Appearance:	Solid
Storage:	Sealed in dry, 2-8 °C
LogP:	-0.62282

Publication Number	Title	Priority Date
WO-2021203023-A1	Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021158498-A1	Tricyclic heteroaryl compounds useful as irak4 inhibitors	20200203
WO-2021074281-A1	Substituted azacyles as trmp8 modulators	20191017
KR-20210024923-A	Compound and organic light emitting device comprising the same	20190826
EP-3613744-A1	Organic molecules for optoelectronic devices	20180821

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.0397367
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.0397367
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0