3-Chloro-4-fluoro-5-nitrobenzoic Acid - CAS 132992-43-9

Catalog:	BB007667
Product Name:	3-Chloro-4-fluoro-5-nitrobenzoic Acid
CAS:	132992-43-9
Synonyms:	3-chloro-4-fluoro-5-nitrobenzoic acid; 3-chloro-4-fluoro-5-nitrobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-4-fluoro-5-nitrobenzoic acid
Description:	3-Chloro-4-fluoro-5-nitrobenzoic Acid (CAS# 132992-43-9) is a useful research chemical.
Molecular Weight:	219.55
Molecular Formula:	C7H3ClFNO4
Canonical SMILES:	C1=C(C=C(C(=C1[N+](=O)[O-])F)Cl)C(=O)O
InChI:	InChI=1S/C7H3ClFNO4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2H,(H,11,12)
InChI Key:	FSXCNZDIJKLGGU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2013059648-A1	2,3,5 trisubstituted aryl and heteroaryl amino derivatives, compositions, and methods of use	20111021
AU-2011340482-A1	6-amino-2-phenylamino-1H-benzimidazole-5-carboxamide- derivatives and their use as microsomal prostaglandin E2 synthase-1 inhibitors	20101210
CA-2820838-A1	6-amino-2-phenylamino-1h-benzimidazole-5-carboxamide- derivatives and their use as microsomal prostaglandin e2 synthase-1 inhibitors	20101210
EP-2649051-A1	6-amino-2-phenylamino-1h-benzimidazole-5-carboxamide- derivatives and their use as microsomal prostaglandin e2 synthase-1 inhibitors	20101210
KR-20130143076-A	Hexaamino-2-phenylphenylaminobenzimidazole5-carboxamide derivatives and their use as microsomal prostaglandin E2 synthase X1 inhibitors	20101210

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.9734634
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.9734634
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2