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Home Halogens [3-chloro-4-(oxiran-2-ylmethoxy)phenyl]acetic acid

[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]acetic acid

CAS No.:
726-18-1
Catalog Number:
AG005QKE
Molecular Formula:
C11H11ClO4
Molecular Weight:
242.6556
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Product Description
Catalog Number:
AG005QKE
Chemical Name:
[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]acetic acid
CAS Number:
726-18-1
Molecular Formula:
C11H11ClO4
Molecular Weight:
242.6556
MDL Number:
MFCD00048046
IUPAC Name:
1-methoxy-4-[(4-methoxyphenyl)methyl]benzene
InChI:
InChI=1S/C15H16O2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10H,11H2,1-2H3
InChI Key:
WECJUPODCKXNQK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)Cl)OCC1CO1
NSC Number:
40
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
(E)-1-{4-[Bis(4-meth-oxy-phen-yl)meth-yl]piperazin-1-yl}-3-(4-eth-oxy-3-meth-oxy-phen-yl)prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20120401
Effect of the leaving group and solvent combination on the LFER reaction constants. International journal of molecular sciences 20120101
Discovery of novel SERCA inhibitors by virtual screening of a large compound library. European journal of medicinal chemistry 20110501
Metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones. Nature chemistry 20090901
The influence of carbon-carbon multiple bonds on the solvolyses of tertiary alkyl halides: A Grunwald-Winstein analysis. International journal of molecular sciences 20080901
Comparison between experimental and theoretical scales of electrophilicity in benzhydryl cations. The Journal of organic chemistry 20020712
Competitive decay pathways of the radical ions formed by photoinduced electron transfer between quinones and 4,4'-dimethoxydiphenylmethane in acetonitrile. Chemistry (Weinheim an der Bergstrasse, Germany) 20010716
Properties