Ethyl 2-(4-Fluoro-3-nitrophenyl)acetate - CAS 858972-16-4

Catalog:	BB037759
Product Name:	Ethyl 2-(4-Fluoro-3-nitrophenyl)acetate
CAS:	858972-16-4
Synonyms:	2-(4-fluoro-3-nitrophenyl)acetic acid ethyl ester; ethyl 2-(4-fluoro-3-nitrophenyl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(4-fluoro-3-nitrophenyl)acetate
Description:	Ethyl 2-(4-Fluoro-3-nitrophenyl)acetate (CAS# 858972-16-4) is a useful research chemical.
Molecular Weight:	227.19
Molecular Formula:	C10H10FNO4
Canonical SMILES:	CCOC(=O)CC1=CC(=C(C=C1)F)[N+](=O)[O-]
InChI:	InChI=1S/C10H10FNO4/c1-2-16-10(13)6-7-3-4-8(11)9(5-7)12(14)15/h3-5H,2,6H2,1H3
InChI Key:	ASOMZDWTSDPDEU-UHFFFAOYSA-N
LogP:	2.36270

Publication Number	Title	Priority Date
CN-110803992-A	Preparation method of 3-nitro-4-fluoroacetophenone acetate	20191127
WO-2013134298-A1	Raf inhibitor compounds	20120307
AU-2013230425-A1	Substituted heterocyclic acetamides as kappa opioid receptor (kor) agonists	20120305
CA-2866299-C	Substituted heterocyclic acetamides as kappa opioid receptor (kor) agonists	20120305
DK-2822928-T3	Substituted heterocyclic acetamids as cape-opioid receptor (chor) agonists	20120305

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Complexity:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.05938596
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.05938596
Rotatable Bond Count:	4
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2