Home Fluorides 261952-07-2
261952-07-2,MFCD00144374
Catalog No.:AA002S4I

261952-07-2 | 2-Methyl-3-(trifluoromethyl)benzoyl chloride

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1g
98%
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$112.00   $78.00
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5g
98%
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$295.00   $206.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002S4I
Chemical Name:
2-Methyl-3-(trifluoromethyl)benzoyl chloride
CAS Number:
261952-07-2
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
MDL Number:
MFCD00144374
SMILES:
ClC(=O)c1cccc(c1C)C(F)(F)F
Properties
Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Patent:WO2013/162072,2013,A1.Locationinpatent:Page/Pagecolumn908

[2]Patent:WO2013/162077,2013,A1.Locationinpatent:Paragraph0508

[3]Patent:EP2927218,2015,A1.Locationinpatent:Paragraph0801

[4]Patent:EP2940012,2015,A1.Locationinpatent:Paragraph0771

[5]JournalofMedicinalChemistry,2018,vol.61,p.207-223

[6]Chemistry-AEuropeanJournal,2019,vol.25,p.6915-6919

Literature
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SDS
Tags:261952-07-2 Molecular Formula|261952-07-2 MDL|261952-07-2 SMILES|261952-07-2 2-Methyl-3-(trifluoromethyl)benzoyl chloride