3-Nitro-4-(trifluoromethyl)anisole - CAS 25889-37-6

Catalog:	BB019062
Product Name:	3-Nitro-4-(trifluoromethyl)anisole
CAS:	25889-37-6
Synonyms:	4-methoxy-2-nitro-1-(trifluoromethyl)benzene; 4-methoxy-2-nitro-1-(trifluoromethyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	4-methoxy-2-nitro-1-(trifluoromethyl)benzene
Description:	3-Nitro-4-(trifluoromethyl)anisole (CAS# 25889-37-6) is a useful research chemical.
Molecular Weight:	221.13
Molecular Formula:	C8H6F3NO3
Canonical SMILES:	COC1=CC(=C(C=C1)C(F)(F)F)[N+](=O)[O-]
InChI:	InChI=1S/C8H6F3NO3/c1-15-5-2-3-6(8(9,10)11)7(4-5)12(13)14/h2-4H,1H3
InChI Key:	KCOIUQMLFCNNAP-UHFFFAOYSA-N
Boiling Point:	273.8 °C at 760 mmHg
Density:	1.392 g/cm³
MDL:	MFCD11848539
LogP:	3.14540

Publication Number	Title	Priority Date
WO-2021011722-A1	Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto	20190717
WO-2019067702-A1	INHIBITORS WITH SMALL MOLECULES OF GALECTIN-3	20170927
WO-2019067702-A9	INHIBITORS WITH SMALL MOLECULES OF GALECTIN-3	20170927
US-2021147408-A1	Small molecule inhibitors of galectin-3	20170927
WO-9403425-A2	Carbostyril derivatives for the treatment of arrhythmia	19920731

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Related Functional Groups

Nitrogen 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
[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.02997754
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.02997754
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6