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2-Chloro-3-nitro-5-(trifluoromethyl)benzoic Acid

2-Chloro-3-nitro-5-(trifluoromethyl)benzoic Acid - CAS 22227-59-4

Catalog:	BB017457
Product Name:	2-Chloro-3-nitro-5-(trifluoromethyl)benzoic Acid
CAS:	22227-59-4
Synonyms:	2-chloro-3-nitro-5-(trifluoromethyl)benzoic acid; 2-chloro-3-nitro-5-(trifluoromethyl)benzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-3-nitro-5-(trifluoromethyl)benzoic acid
Description:	2-Chloro-3-nitro-5-(trifluoromethyl)benzoic Acid (CAS# 22227-59-4) is a useful research chemical.
Molecular Weight:	269.56
Molecular Formula:	C8H3ClF3NO4
Canonical SMILES:	C1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(=O)O)C(F)(F)F
InChI:	InChI=1S/C8H3ClF3NO4/c9-6-4(7(14)15)1-3(8(10,11)12)2-5(6)13(16)17/h1-2H,(H,14,15)
InChI Key:	PSRPKTROFCUEOD-UHFFFAOYSA-N
MDL:	MFCD11847295
LogP:	3.48840

Publication Number	Title	Priority Date
DE-102014012546-A1	Antimycobacterially active substances, process for their preparation and their use	20140926
CN-103508980-A	Benzothiazine-4-one derivative, and preparation method and applications thereof	20120614
CN-103508980-B	Benzothiazine-4-ketone derivatives and its production and use	20120614
WO-2013185507-A1	Benzothiazine-4-one derivatives, preparation method therefor and use thereof	20120614
AU-2013207510-A1	Compositions, methods of use, and methods of treatment	20120106

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

Complexity:	330
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.9702698
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	268.9702698
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8