2-Bromo-5-nitrophenetole - CAS 423165-33-7

Catalog:	BB025104
Product Name:	2-Bromo-5-nitrophenetole
CAS:	423165-33-7
Synonyms:	1-bromo-2-ethoxy-4-nitrobenzene; 1-bromo-2-ethoxy-4-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-2-ethoxy-4-nitrobenzene
Description:	2-Bromo-5-nitrophenetole (CAS# 423165-33-7) is a useful research chemical.
Molecular Weight:	246.06
Molecular Formula:	C8H8BrNO3
Canonical SMILES:	CCOC1=C(C=CC(=C1)[N+](=O)[O-])Br
InChI:	InChI=1S/C8H8BrNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3
InChI Key:	ZALXYXWTUXLPBJ-UHFFFAOYSA-N
Boiling Point:	314.8 ℃ at 760 mmHg
Density:	1.557 g/cm³
Appearance:	Yellow or pale brown crystalline powder
MDL:	MFCD03790890
LogP:	3.27920

Publication Number	Title	Priority Date
CN-111377907-A	Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof	20181226
WO-2020135507-A1	Polysubstituted anilinopyrimidine derivative and preparation method and application thereof	20181226
AU-2018352699-A1	Pyrimidine TBK/IKKE inhibitor compounds and uses thereof	20171017
CA-3078579-A1	Pyrimidine tbk/ikk.epsilon. inhibitor compounds and uses thereof	20171017
CN-111247135-A	Pyrimidine T-K/I-K-P inhibitor compound and application thereof	20171017

PMID	Publication Date	Title	Journal
19406019	20090401	Low level determination of 4-amino-2-ethoxy-cinnamic acid and its ethyl ester in a drug substance and its formulation prototypes by HPLC-UV-DAD	Journal of chromatographic science

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Complexity:	183
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:	2
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8