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1,3-Dibromo-5-fluoro-4-methoxy-6-methyl-2-nitrobenzene

1,3-Dibromo-5-fluoro-4-methoxy-6-methyl-2-nitrobenzene - CAS 1357103-68-4

Name: 1,3-Dibromo-5-fluoro-4-methoxy-6-methyl-2-nitrobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008237
Product Name:	1,3-Dibromo-5-fluoro-4-methoxy-6-methyl-2-nitrobenzene
CAS:	1357103-68-4
Synonyms:	1,5-dibromo-3-fluoro-2-methoxy-4-methyl-6-nitrobenzene; 1,5-dibromo-3-fluoro-2-methoxy-4-methyl-6-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1,5-dibromo-3-fluoro-2-methoxy-4-methyl-6-nitrobenzene
Description:	1,3-Dibromo-5-fluoro-4-methoxy-6-methyl-2-nitrobenzene (CAS# 1357103-68-4 ) is a useful research chemical.
Molecular Weight:	342.94
Molecular Formula:	C8H6Br2FNO3
Canonical SMILES:	CC1=C(C(=C(C(=C1Br)[N+](=O)[O-])Br)OC)F
InChI:	InChI=1S/C8H6Br2FNO3/c1-3-4(9)7(12(13)14)5(10)8(15-2)6(3)11/h1-2H3
InChI Key:	OYKBBTHPHANVED-UHFFFAOYSA-N
LogP:	4.09910

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Related Functional Groups

Halides

[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[444581-46-8]C8H7BrF2
1-Bromo-2-(1,1-difluoroethyl)benzene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine
[4185-62-0]C10H6BrNO2
2-Bromo-1-nitronaphthalene

Publication Number	Title	Priority Date
US-2018208594-A1	Pyrrolopyrimidine itk inhibitors for treating inflammation and cancer	20170125
AU-2011282742-A1	Compositions and methods for inhibition of the JAK pathway	20100728
AU-2011282742-A2	Compositions and methods for inhibition of the JAK pathway	20100728
AU-2011282742-B2	Compositions and methods for inhibition of the JAK pathway	20100728
AU-2015261604-A1	Compositions and methods for inhibition of the JAK pathway	20100728

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	342.8678
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	340.86985
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6