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Home Fluorides 117186-02-4
117186-02-4,MFCD01631590
Catalog No.:AA000DSW

117186-02-4 | 3-Methyl-5-(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
99%
in stock  
$26.00   $18.00
- +
1g
98%
in stock  
$62.00   $44.00
- +
5g
99%
in stock  
$91.00   $64.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000DSW
Chemical Name:
3-Methyl-5-(trifluoromethyl)benzoic acid
CAS Number:
117186-02-4
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD01631590
SMILES:
Cc1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Computed Properties
 
Complexity:
225  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.7  

Downstream Synthesis Route
117186-02-4   
(3-methyl-5-(trifluoromethyl)phenyl)methanol 

[1]Patent:US2014/171403,2014,A1.Locationinpatent:Page/Pagecolumn

[1]Patent:US2014/171403,2014,A1

[1]Patent:US2014/171403,2014,A1

117186-02-4   
3-methyl-N-(2-(4-methylpiperazin-1-yl)-5-nitrophenyl)-5-(trifluoromethyl)benzamide 

[1]JournalofMedicinalChemistry,2016,vol.59,p.2478-2496

Literature
Quotation Request
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Additional Info:
SDS
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Tags:117186-02-4 Molecular Formula|117186-02-4 MDL|117186-02-4 SMILES|117186-02-4 3-Methyl-5-(trifluoromethyl)benzoic acid