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175203-84-6,MFCD00276997
Catalog No.:AA0020I8

175203-84-6 | 5-(Trifluoromethoxy)indole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$88.00   $62.00
- +
1g
98%
in stock  
$191.00   $134.00
- +
5g
98
in stock  
$632.00   $443.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0020I8
Chemical Name:
5-(Trifluoromethoxy)indole-2-carboxylic acid
CAS Number:
175203-84-6
Molecular Formula:
C10H6F3NO3
Molecular Weight:
245.1547
MDL Number:
MFCD00276997
SMILES:
OC(=O)c1[nH]c2c(c1)cc(cc2)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
308  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Robertson,WilliamM.;Kastrinsky,DavidB.;Hwang,Inkyu;Boger,DaleL.[BioorganicandMedicinalChemistryLetters,2010,vol.20,#9,p.2722-2725]

[2]CurrentPatentAssignee:TAXISPHARMACEUTICALSINC;RUTGERS,THESTATEUNIVERSITYOFNEWJERSEY-WO2019/99402,2019,A1Locationinpatent:Page/Pagecolumn78;79

[3]CurrentPatentAssignee:SHANGPHARMAINNOVATIONINC;UNIVERSITYOFCALIFORNIA-WO2021/102361,2021,A1Locationinpatent:Paragraph0612;0711;0714-0715

Literature
Quotation Request
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SDS
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Tags:175203-84-6 Molecular Formula|175203-84-6 MDL|175203-84-6 SMILES|175203-84-6 5-(Trifluoromethoxy)indole-2-carboxylic acid
Catalog No.: AA0020I8
175203-84-6,MFCD00276997
175203-84-6 | 5-(Trifluoromethoxy)indole-2-carboxylic acid
Pack Size： 250mg
Purity： 98%
in stock
$88.00 $62.00
Pack Size： 1g
Purity： 98%
in stock
$191.00 $134.00
Pack Size： 5g
Purity： 98
in stock
$632.00 $443.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0020I8
Chemical Name: 5-(Trifluoromethoxy)indole-2-carboxylic acid
CAS Number: 175203-84-6
Molecular Formula: C10H6F3NO3
Molecular Weight: 245.1547
MDL Number: MFCD00276997
SMILES: OC(=O)c1[nH]c2c(c1)cc(cc2)OC(F)(F)F
Properties
Complexity: 308  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Downstream Synthesis Route
845866-79-7    127-17-3    175203-84-6 

[1]Robertson,WilliamM.;Kastrinsky,DavidB.;Hwang,Inkyu;Boger,DaleL.[BioorganicandMedicinalChemistryLetters,2010,vol.20,#9,p.2722-2725]

[2]CurrentPatentAssignee:TAXISPHARMACEUTICALSINC;RUTGERS,THESTATEUNIVERSITYOFNEWJERSEY-WO2019/99402,2019,A1Locationinpatent:Page/Pagecolumn78;79

[3]CurrentPatentAssignee:SHANGPHARMAINNOVATIONINC;UNIVERSITYOFCALIFORNIA-WO2021/102361,2021,A1Locationinpatent:Paragraph0612;0711;0714-0715

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