Methyl 2-Fluoro-4-nitrobenzoate - CAS 392-09-6

Catalog:	BB023886
Product Name:	Methyl 2-Fluoro-4-nitrobenzoate
CAS:	392-09-6
Synonyms:	2-fluoro-4-nitrobenzoic acid methyl ester; methyl 2-fluoro-4-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-fluoro-4-nitrobenzoate
Description:	Methyl 2-Fluoro-4-nitrobenzoate (CAS# 392-09-6) is a useful research chemical.
Molecular Weight:	199.14
Molecular Formula:	C8H6FNO4
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F
InChI:	InChI=1S/C8H6FNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3
InChI Key:	KJCVCRCYCOWPFY-UHFFFAOYSA-N
Boiling Point:	314.6 °C at 760 mmHg
Density:	1.388 g/cm³
Appearance:	Solid
MDL:	MFCD08444028
LogP:	2.04370

Publication Number	Title	Priority Date
CN-111349052-A	Synthesis method of mosapride citrate	20200407
CN-111349052-B	Synthesis method of mosapride citrate	20200407
WO-2020102574-A1	The compounds and compositions for treating conditions associated with nlrp activity	20181116
CN-113227055-A	Compounds and compositions for treating conditions associated with NLRP activity	20181116
EP-3880658-A1	The compounds and compositions for treating conditions associated with nlrp activity	20181116

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.02808583
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.02808583
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6