Ethyl 2,4-Difluoro-5-nitrobenzoate - CAS 179011-37-1

Catalog:	BB013528
Product Name:	Ethyl 2,4-Difluoro-5-nitrobenzoate
CAS:	179011-37-1
Synonyms:	2,4-difluoro-5-nitrobenzoic acid ethyl ester; ethyl 2,4-difluoro-5-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2,4-difluoro-5-nitrobenzoate
Description:	Ethyl 2,4-Difluoro-5-nitrobenzoate (CAS# 179011-37-1 ) is a useful research chemical.
Molecular Weight:	231.15
Molecular Formula:	C9H7F2NO4
Canonical SMILES:	CCOC(=O)C1=CC(=C(C=C1F)F)[N+](=O)[O-]
InChI:	InChI=1S/C9H7F2NO4/c1-2-16-9(13)5-3-8(12(14)15)7(11)4-6(5)10/h3-4H,2H2,1H3
InChI Key:	HKGIEPXOWGJFCW-UHFFFAOYSA-N
MDL:	MFCD12172523
LogP:	2.57290

Publication Number	Title	Priority Date
US-10155749-B2	Substituted benzimidazolium compounds useful in the treatment of respiratory diseases	20150112
US-2018105512-A1	Substituted benzimidazolium compounds useful in the treatment of respiratory diseases	20150112
WO-2016113167-A1	Substituted benzimidazolium compounds useful in the treatment of respiratory diseases	20150112
US-2016297748-A1	Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders	20131202
WO-2015084749-A1	Modulating ferroptosis and treating excitotoxic disorders	20131202

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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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.03431403
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.03431403
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2