5-Fluoro-2-methyl-3-nitrobenzoic Acid - CAS 850462-64-5

Catalog:	BB037428
Product Name:	5-Fluoro-2-methyl-3-nitrobenzoic Acid
CAS:	850462-64-5
Synonyms:	5-fluoro-2-methyl-3-nitrobenzoic acid; 5-fluoro-2-methyl-3-nitrobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-fluoro-2-methyl-3-nitrobenzoic acid
Description:	5-Fluoro-2-methyl-3-nitrobenzoic Acid (CAS# 850462-64-5) is a useful research chemical.
Molecular Weight:	199.14
Molecular Formula:	C8H6FNO4
Canonical SMILES:	CC1=C(C=C(C=C1C(=O)O)F)[N+](=O)[O-]
InChI:	InChI=1S/C8H6FNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:	CMZCBPLTJBYJHZ-UHFFFAOYSA-N
LogP:	2.26370

Publication Number	Title	Priority Date
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WO-2020211836-A1	Benzene piperidine derivative, preparation method therefor, intermediate thereof and use thereof	20190419
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EP-3862348-A1	Isoindoline compound, preparation method, pharmaceutical composition and use thereof	20180930
KR-20210069085-A	Isoindoline compounds, methods for their preparation, pharmaceutical compositions and uses	20180930

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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
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	252
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.02808583
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7