5-Bromo-4-methyl-2-nitroanisole - CAS 1089281-86-6

Catalog:	BB002359
Product Name:	5-Bromo-4-methyl-2-nitroanisole
CAS:	1089281-86-6
Synonyms:	1-bromo-5-methoxy-2-methyl-4-nitrobenzene; 1-bromo-5-methoxy-2-methyl-4-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-5-methoxy-2-methyl-4-nitrobenzene
Description:	5-Bromo-4-methyl-2-nitroanisole (CAS# 1089281-86-6) is a useful research chemical.
Molecular Weight:	246.06
Molecular Formula:	C8H8BrNO3
Canonical SMILES:	CC1=CC(=C(C=C1Br)OC)[N+](=O)[O-]
InChI:	InChI=1S/C8H8BrNO3/c1-5-3-7(10(11)12)8(13-2)4-6(5)9/h3-4H,1-2H3
InChI Key:	RSQRVVVHNGPSGG-UHFFFAOYSA-N
LogP:	3.19750

Publication Number	Title	Priority Date
WO-2021173677-A1	Potent and selective degraders of alk	20200225
AU-2017209935-A1	New substituted cyanoindoline derivatives as NIK inhibitors	20160122
CA-3011880-A1	New substituted cyanoindoline derivatives as nik inhibitors	20160122
EP-3405196-A1	New substituted cyanoindoline derivatives as nik inhibitors	20160122
EP-3405196-B1	New substituted cyanoindoline derivatives as nik inhibitors	20160122

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

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Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.96876
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.96876
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8