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101869-82-3,MFCD03002786
Catalog No.:AA0005QC

101869-82-3 | 2-Propenoic acid, 3-(2,5-dichlorophenyl)-

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0005QC
Chemical Name:
2-Propenoic acid, 3-(2,5-dichlorophenyl)-
CAS Number:
101869-82-3
Molecular Formula:
C9H6Cl2O2
Molecular Weight:
217.0487
MDL Number:
MFCD03002786
SMILES:
OC(=O)C=Cc1cc(Cl)ccc1Cl
Properties
Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Germain,AndrewR.;Carmody,LeighC.;Nag,ParthaP.;Morgan,Barbara;Verplank,Lynn;Fernandez,Cristina;Donckele,Etienne;Feng,Yuxiong;Perez,JoseR.;Dandapani,Sivaraman;Palmer,Michelle;Lander,EricS.;Gupta,PiyushB.;Schreiber,StuartL.;Munoz,Benito[BioorganicandMedicinalChemistryLetters,2013,vol.23,#6,p.1834-1838]

Literature
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Additional Info:
SDS
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Tags:101869-82-3 Molecular Formula|101869-82-3 MDL|101869-82-3 SMILES|101869-82-3 2-Propenoic acid, 3-(2,5-dichlorophenyl)-