2-(3-Fluoro-2-nitrophenyl)acetic Acid - CAS 872141-25-8

Catalog:	BB038335
Product Name:	2-(3-Fluoro-2-nitrophenyl)acetic Acid
CAS:	872141-25-8
Synonyms:	2-(3-fluoro-2-nitrophenyl)acetic acid; 2-(3-fluoro-2-nitrophenyl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(3-fluoro-2-nitrophenyl)acetic acid
Description:	2-(3-Fluoro-2-nitrophenyl)acetic Acid (CAS# 872141-25-8) is a useful research chemical.
Molecular Weight:	199.14
Molecular Formula:	C8H6FNO4
Canonical SMILES:	C1=CC(=C(C(=C1)F)[N+](=O)[O-])CC(=O)O
InChI:	InChI=1S/C8H6FNO4/c9-6-3-1-2-5(4-7(11)12)8(6)10(13)14/h1-3H,4H2,(H,11,12)
InChI Key:	ZHQHUGDDYSPNTM-UHFFFAOYSA-N
LogP:	1.88420

Publication Number	Title	Priority Date
AU-2015370697-A1	Novel heterocyclic compounds and the use thereof in medicine and in cosmetics	20141223
AU-2015370697-B2	Novel heterocyclic compounds and the use thereof in medicine and in cosmetics	20141223
CA-2971540-A1	Novel heterocyclic compounds and the use thereof in medicine and in cosmetics	20141223
EP-3237403-A1	Novel heterocyclic compounds and the use thereof in medicine and in cosmetics	20141223
EP-3237403-B1	Novel heterocyclic compounds and the use thereof in medicine and in cosmetics	20141223

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[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
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.02808583
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3