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3-Chloro-4-(trifluoromethoxy)nitrobenzene

3-Chloro-4-(trifluoromethoxy)nitrobenzene - CAS 158579-81-8

Catalog:	BB011432
Product Name:	3-Chloro-4-(trifluoromethoxy)nitrobenzene
CAS:	158579-81-8
Synonyms:	2-chloro-4-nitro-1-(trifluoromethoxy)benzene; 2-chloro-4-nitro-1-(trifluoromethoxy)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-nitro-1-(trifluoromethoxy)benzene
Description:	3-Chloro-4-(trifluoromethoxy)nitrobenzene (CAS# 158579-81-8) is a useful research compound and has been used in the preparation of agrochemical herbicides.
Molecular Weight:	241.55
Molecular Formula:	C7H3ClF3NO3
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC(F)(F)F
InChI:	InChI=1S/C7H3ClF3NO3/c8-5-3-4(12(13)14)1-2-6(5)15-7(9,10)11/h1-3H
InChI Key:	XPGDBZMLVQPKOX-UHFFFAOYSA-N
LogP:	3.67000

Publication Number	Title	Priority Date
EP-3181553-A1	Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof	20140815
US-2017247339-A1	Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof	20140815
WO-2016023217-A1	Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof	20140815
AP-439-A	"4-benzoyl isoxazoles and their use as herbcides".	19921218
BG-99768-A	DERIVATIVES OF 4-BENZOILISOXAZOLE AND THEIR APPLICATION AS HERBICIDES	19921218

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Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.9753551
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.9753551
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7