2,3-Difluoro-6-nitroanisole - CAS 66684-60-4

Catalog:	BB033084
Product Name:	2,3-Difluoro-6-nitroanisole
CAS:	66684-60-4
Synonyms:	1,2-difluoro-3-methoxy-4-nitrobenzene; 1,2-difluoro-3-methoxy-4-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1,2-difluoro-3-methoxy-4-nitrobenzene
Description:	2,3-Difluoro-6-nitroanisole (CAS# 66684-60-4) is a useful research chemical.
Molecular Weight:	189.12
Molecular Formula:	C7H5F2NO3
Canonical SMILES:	COC1=C(C=CC(=C1F)F)[N+](=O)[O-]
InChI:	InChI=1S/C7H5F2NO3/c1-13-7-5(10(11)12)3-2-4(8)6(7)9/h2-3H,1H3
InChI Key:	BCWRUHXLSHZAEA-UHFFFAOYSA-N
Boiling Point:	78-79 °C / 20 mmHg
Density:	1.414 g/cm³
Appearance:	Light yellow liquid
MDL:	MFCD03840468
LogP:	2.40480

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Related Functional Groups

Nitrogen Compounds

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

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Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.02374935
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.02374935
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9