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2-Bromo-4-methyl-5-nitroanisole

2-Bromo-4-methyl-5-nitroanisole - CAS 41447-19-2

Catalog:	BB024887
Product Name:	2-Bromo-4-methyl-5-nitroanisole
CAS:	41447-19-2
Synonyms:	1-bromo-2-methoxy-5-methyl-4-nitrobenzene; 1-bromo-2-methoxy-5-methyl-4-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-2-methoxy-5-methyl-4-nitrobenzene
Description:	2-Bromo-4-methyl-5-nitroanisole (CAS# 41447-19-2 ) is a useful research chemical.
Molecular Weight:	246.06
Molecular Formula:	C8H8BrNO3
Canonical SMILES:	CC1=CC(=C(C=C1[N+](=O)[O-])OC)Br
InChI:	InChI=1S/C8H8BrNO3/c1-5-3-6(9)8(13-2)4-7(5)10(11)12/h3-4H,1-2H3
InChI Key:	JZBCPWGVPOVHAC-UHFFFAOYSA-N
Boiling Point:	314.6 °C at 760 mmHg
Density:	1.559 g/cm³
LogP:	3.19750

Publication Number	Title	Priority Date
CA-3066166-A1	New substituted azaindoline derivatives as nik inhibitors	20170706
CN-110831940-A	Novel substituted azaindoline derivatives as NIK inhibitors	20170706
EP-3649127-A1	New substituted azaindoline derivatives as nik inhibitors	20170706
KR-20200024852-A	Novel Substituted Azaindolin Derivatives as NIK Inhibitors	20170706
WO-2019008011-A1	NOVEL SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS	20170706

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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