5-Carboxy-2-fluorophenylboronic Acid - CAS 874219-59-7

Catalog:	BB038436
Product Name:	5-Carboxy-2-fluorophenylboronic Acid
CAS:	874219-59-7
Synonyms:	3-borono-4-fluorobenzoic acid; 3-borono-4-fluorobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-borono-4-fluorobenzoic acid
Description:	5-Carboxy-2-fluorophenylboronic Acid (CAS# 874219-59-7) is a useful research chemical.
Molecular Weight:	183.93
Molecular Formula:	C7H6FO4B
Canonical SMILES:	B(C1=C(C=CC(=C1)C(=O)O)F)(O)O
InChI:	InChI=1S/C7H6BFO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key:	YLZPFWJYAFZZHF-UHFFFAOYSA-N
Boiling Point:	432.896 °C at 760 mmHg
Density:	1.498 g/cm³
MDL:	MFCD08436065
LogP:	-0.79630

Publication Number	Title	Priority Date
CN-112679535-A	Small molecule PAD4 inhibitor and preparation method and application thereof	20210106
CN-111424429-A	Metal sulfide porous framework material, and preparation method and application thereof	20200430
US-2021214366-A1	Bicyclic heterocycles as fgfr inhibitors	20200115
WO-2021146424-A1	Bicyclic heterocycles as fgfr inhibitors	20200115
CN-111146496-A	Polymer electrolyte and lithium ion battery containing same	20191223

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Signal Word:	Warning

Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.034317
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	184.034317
Rotatable Bond Count:	2
Topological Polar Surface Area:	77.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0