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2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene

2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene - CAS 937273-31-9

Catalog:	BB041050
Product Name:	2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
CAS:	937273-31-9
Synonyms:	1-(2-chloroethoxy)-4-nitro-2-(prop-2-enoxymethyl)benzene; 1-(2-chloroethoxy)-4-nitro-2-(prop-2-enoxymethyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-chloroethoxy)-4-nitro-2-(prop-2-enoxymethyl)benzene
Description:	2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene (CAS# 937273-31-9 ) is a useful research chemical.
Molecular Weight:	271.70
Molecular Formula:	C12H14ClNO4
Canonical SMILES:	C=CCOCC1=C(C=CC(=C1)[N+](=O)[O-])OCCCl
InChI:	InChI=1S/C12H14ClNO4/c1-2-6-17-9-10-8-11(14(15)16)3-4-12(10)18-7-5-13/h2-4,8H,1,5-7,9H2
InChI Key:	LQGMNQQLHCLEQT-UHFFFAOYSA-N
LogP:	3.43820

Publication Number	Title	Priority Date
WO-2008140419-A2	Pyridyl substituted pyrimidine derivatives	20070515
WO-2008140421-A2	Heterocycloalkyl substituted pyrimidine derivatives	20070515
WO-2008060248-A1	Indole sustituted pyrimidines and use thereof in the treatment of cancer	20061115
EP-1951729-A1	Oxygen linked pyrimidine derivatives	20051116
EP-1951729-B1	Oxygen linked pyrimidine derivatives	20051116

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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
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[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
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.0611356
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	271.0611356
Rotatable Bond Count:	7
Topological Polar Surface Area:	64.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6