3-Fluoro-4-isopropoxybenzoic Acid - CAS 258273-30-2

Catalog:	BB019037
Product Name:	3-Fluoro-4-isopropoxybenzoic Acid
CAS:	258273-30-2
Synonyms:	3-fluoro-4-propan-2-yloxybenzoic acid; 3-fluoro-4-propan-2-yloxybenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-fluoro-4-propan-2-yloxybenzoic acid
Description:	3-Fluoro-4-isopropoxybenzoic Acid (CAS# 258273-30-2) is a useful research chemical.
Molecular Weight:	198.19
Molecular Formula:	C10H11FO3
Canonical SMILES:	CC(C)OC1=C(C=C(C=C1)C(=O)O)F
InChI:	InChI=1S/C10H11FO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6H,1-2H3,(H,12,13)
InChI Key:	AFUBNDBLNISVBB-UHFFFAOYSA-N
LogP:	2.31110

Publication Number	Title	Priority Date
EP-2948456-A1	Bicyclic pyrimidone compounds as inhibitors of lp-pla2	20130125
US-2015344485-A1	Bicyclic pyrimidone compounds as inhibitors of lp-pla2	20130125
WO-2014114249-A1	Bicyclic pyrimidone compounds as inhibitors of lp-pla2	20130125
AU-2013209958-A1	Pyran-spirocyclic piperidine amides as modulators of ion channels	20120116
AU-2013209958-B2	Pyran-spirocyclic piperidine amides as modulators of ion channels	20120116

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Complexity:	206
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.06922237
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.06922237
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3