2'-Fluoro-4'-nitroacetophenone - CAS 866579-96-6

Catalog:	BB038016
Product Name:	2'-Fluoro-4'-nitroacetophenone
CAS:	866579-96-6
Synonyms:	1-(2-fluoro-4-nitrophenyl)ethanone; 1-(2-fluoro-4-nitrophenyl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-fluoro-4-nitrophenyl)ethanone
Description:	2'-Fluoro-4'-nitroacetophenone (CAS# 866579-96-6) is a useful research chemical.
Molecular Weight:	183.14
Molecular Formula:	C8H6FNO3
Canonical SMILES:	CC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F
InChI:	InChI=1S/C8H6FNO3/c1-5(11)7-3-2-6(10(12)13)4-8(7)9/h2-4H,1H3
InChI Key:	LBEGSSDPGNYHQI-UHFFFAOYSA-N
LogP:	2.45970

Publication Number	Title	Priority Date
WO-2020248278-A1	Method for continuous synthesis of substituted benzoic-acid organic substance	20190614
AU-2010211109-A1	Novel substituted bicyclic heterocyclic compounds as gamma secretase modulators	20090206
AU-2010211109-B2	Novel substituted bicyclic heterocyclic compounds as gamma secretase modulators	20090206
CA-2748862-A1	Novel substituted bicyclic heterocyclic compounds as gamma secretase modulators	20090206
CN-102325765-B	Novel substituted bicyclic heterocyclic compounds as gamma secretase modulators	20090206

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.03317122
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.03317122
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5