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Dimethyl 2-(2-Fluoro-4-nitrophenyl)malonate

Dimethyl 2-(2-Fluoro-4-nitrophenyl)malonate - CAS 188975-47-5

Name: Dimethyl 2-(2-Fluoro-4-nitrophenyl)malonate
Brand: BOC Sciences
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Catalog:	BB014576
Product Name:	Dimethyl 2-(2-Fluoro-4-nitrophenyl)malonate
CAS:	188975-47-5
Synonyms:	2-(2-fluoro-4-nitrophenyl)propanedioic acid dimethyl ester; dimethyl 2-(2-fluoro-4-nitrophenyl)propanedioate

Technical Data

Patents

Computed Properties

IUPAC Name:	dimethyl 2-(2-fluoro-4-nitrophenyl)propanedioate
Description:	Dimethyl 2-(2-Fluoro-4-nitrophenyl)malonate (CAS# 188975-47-5 ) is a useful research chemical.
Molecular Weight:	271.20
Molecular Formula:	C11H10FNO6
Canonical SMILES:	COC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])F)C(=O)OC
InChI:	InChI=1S/C11H10FNO6/c1-18-10(14)9(11(15)19-2)7-4-3-6(13(16)17)5-8(7)12/h3-5,9H,1-2H3
InChI Key:	MZYCNIFZHNVGKA-UHFFFAOYSA-N
LogP:	1.68670

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Publication Number	Title	Priority Date
AU-2012334065-A1	Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an O-containing group as vanilloid receptor ligands	20111109
AU-2012334065-B2	Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an O-containing group as vanilloid receptor ligands	20111109
CA-2854932-A1	Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an o-containing group as vanilloid receptor ligands	20111109
EP-2776398-A1	Substituted pyrazolyl-based carboxamide and urea derivatives bearing a phenyl moiety substituted with an o-containing group as vanilloid receptor ligands	20111109
MX-2014005610-A	CARBOXAMIDE AND UREA DERIVATIVES, BASED ON REPLACED PIRAZOLIL, THAT PRESENT A REPLACED FENILE PORTION WITH A GROUP THAT CONTAINS OR AS BINDING WITH A VAINILLOID RECEIVER.	20111109

Complexity:	353
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.0492152
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	271.0492152
Rotatable Bond Count:	5
Topological Polar Surface Area:	98.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8