1-Bromo-2-fluoro-5-methoxy-4-nitrobenzene - CAS 330794-02-0

Catalog:	BB021551
Product Name:	1-Bromo-2-fluoro-5-methoxy-4-nitrobenzene
CAS:	330794-02-0
Synonyms:	1-bromo-2-fluoro-5-methoxy-4-nitrobenzene; 1-bromo-2-fluoro-5-methoxy-4-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-2-fluoro-5-methoxy-4-nitrobenzene
Description:	1-Bromo-2-fluoro-5-methoxy-4-nitrobenzene (CAS# 330794-02-0) is a useful reagent in the preparation of 2-Anilino-7-Aryl-Pyrrolo[2,1-f][1,2,4]triazines as orally Bioavailable, Efficacious ALK Inhibitors.
Molecular Weight:	250.02
Molecular Formula:	C7H5BrFNO3
Canonical SMILES:	COC1=CC(=C(C=C1[N+](=O)[O-])F)Br
InChI:	InChI=1S/C7H5BrFNO3/c1-13-7-2-4(8)5(9)3-6(7)10(11)12/h2-3H,1H3
InChI Key:	DBEXWIUEKLTMPE-UHFFFAOYSA-N
LogP:	3.02820

Publication Number	Title	Priority Date
WO-2018127184-A1	Anaplastic lymphoma kinase inhibitor and preparation method and use thereof	20170106
EP-3347361-A1	Tricyclic pi3k inhibitor compounds and methods of use	20150908
JP-2018526393-A	Tricyclic PI3K inhibitor compounds and methods of use	20150908
US-10065970-B2	Tricyclic PI3K inhibitor compounds and methods of use	20150908
US-10435414-B2	Tricyclic PI3K inhibitor compounds and methods of use	20150908

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

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Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.94368
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.94368
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5