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2-(Dimethoxymethyl)-1,3-difluoro-4-nitrobenzene

2-(Dimethoxymethyl)-1,3-difluoro-4-nitrobenzene - CAS 1203662-90-1

Catalog:	BB004852
Product Name:	2-(Dimethoxymethyl)-1,3-difluoro-4-nitrobenzene
CAS:	1203662-90-1
Synonyms:	2-(dimethoxymethyl)-1,3-difluoro-4-nitrobenzene; 2-(dimethoxymethyl)-1,3-difluoro-4-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	2-(dimethoxymethyl)-1,3-difluoro-4-nitrobenzene
Description:	2-(Dimethoxymethyl)-1,3-difluoro-4-nitrobenzene (CAS# 1203662-90-1) is a useful research chemical.
Molecular Weight:	233.17
Molecular Formula:	C9H9F2NO4
Canonical SMILES:	COC(C1=C(C=CC(=C1F)[N+](=O)[O-])F)OC
InChI:	InChI=1S/C9H9F2NO4/c1-15-9(16-2)7-5(10)3-4-6(8(7)11)12(13)14/h3-4,9H,1-2H3
InChI Key:	DQGCXNOSRFPHCV-UHFFFAOYSA-N
LogP:	2.68760

Publication Number	Title	Priority Date
WO-2015075749-A1	Novel processes for the preparation of vemurafenib	20131122
AU-2009266956-A1	Bicyclic heterocycles as MEK kinase inhibitors	20080701
AU-2009266956-A2	Bicyclic heterocycles as MEK kinase inhibitors	20080701
AU-2009266956-B2	Bicyclic heterocycles as MEK kinase inhibitors	20080701
CA-2727250-A1	Bicyclic heterocycles as mek kinase inhibitors	20080701

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Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.04996409
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.04996409
Rotatable Bond Count:	3
Topological Polar Surface Area:	64.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6