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5-(2,4-Difluorophenyl)isoxazole-3-carboxylic Acid

5-(2,4-Difluorophenyl)isoxazole-3-carboxylic Acid - CAS 1083224-23-0

Catalog:	BB002249
Product Name:	5-(2,4-Difluorophenyl)isoxazole-3-carboxylic Acid
CAS:	1083224-23-0
Synonyms:	5-(2,4-difluorophenyl)-3-isoxazolecarboxylic acid; 5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
Description:	5-(2,4-Difluorophenyl)isoxazole-3-carboxylic Acid (CAS# 1083224-23-0) is a useful research chemical.
Molecular Weight:	225.15
Molecular Formula:	C10H5F2NO3
Canonical SMILES:	C1=CC(=C(C=C1F)F)C2=CC(=NO2)C(=O)O
InChI:	InChI=1S/C10H5F2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChI Key:	FQAFQXBZWSTPRH-UHFFFAOYSA-N
LogP:	2.31800

Publication Number	Title	Priority Date
US-2019367497-A1	Atf6 inhibitors and uses thereof	20180406
WO-2019195810-A2	Atf6 inhibitors and uses thereof	20180406
AU-2019247533-A1	ATF6 inhibitors and uses thereof	20180406
US-10829485-B2	ATF6 inhibitors and uses thereof	20180406
BR-112020020181-A2	ATF6 INHIBITORS AND USES OF THE SAME	20180406

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Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.02374935
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.02374935
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1