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871571-29-8,MFCD13185723
Catalog No.:AA00H2ST

871571-29-8 | 3-Methyl-4-(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$99.00   $69.00
- +
1g
97%
in stock  
$147.00   $103.00
- +
5g
97%
in stock  
$504.00   $353.00
- +
10g
97%
in stock  
$948.00   $664.00
- +
25g
97%
in stock  
$2,045.00 $1,432.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00H2ST
Chemical Name:
3-Methyl-4-(trifluoromethyl)benzoic acid
CAS Number:
871571-29-8
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD13185723
SMILES:
OC(=O)c1ccc(c(c1)C)C(F)(F)F
Properties
Computed Properties
 
Complexity:
225  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2006/183756,2006,A1Locationinpatent:Page/Pagecolumn11

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-US2006/217387,2006,A1Locationinpatent:Page/Pagecolumn23

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-US2007/72879,2007,A1Locationinpatent:Page/Pagecolumn11

[4]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2005/123738,2005,A1Locationinpatent:Page/Pagecolumn27

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2006/183756,2006,A1Locationinpatent:Page/Pagecolumn11

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-US2006/217387,2006,A1Locationinpatent:Page/Pagecolumn23

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-US2007/72879,2007,A1Locationinpatent:Page/Pagecolumn11

[4]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2005/123738,2005,A1Locationinpatent:Page/Pagecolumn27

871571-29-8   
C11H9FS 
 
C20H14F4OS 

[1]CurrentPatentAssignee:NANTONGCHANYOOOPHARMATECH-CN108017612,2020,BLocationinpatent:Paragraph0030;0033

871571-29-8   
C11H9FS 
 
C20H16F4S 

[1]CurrentPatentAssignee:NANTONGCHANYOOOPHARMATECH-CN108017612,2020,B

Literature
Quotation Request
Company Name:
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SDS
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Tags:871571-29-8 Molecular Formula|871571-29-8 MDL|871571-29-8 SMILES|871571-29-8 3-Methyl-4-(trifluoromethyl)benzoic acid
Catalog No.: AA00H2ST
871571-29-8,MFCD13185723
871571-29-8 | 3-Methyl-4-(trifluoromethyl)benzoic acid
Pack Size： 250mg
Purity： 97%
in stock
$99.00 $69.00
Pack Size： 1g
Purity： 97%
in stock
$147.00 $103.00
Pack Size： 5g
Purity： 97%
in stock
$504.00 $353.00
Pack Size： 10g
Purity： 97%
in stock
$948.00 $664.00
Pack Size： 25g
Purity： 97%
in stock
$2,045.00 $1,432.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00H2ST
Chemical Name: 3-Methyl-4-(trifluoromethyl)benzoic acid
CAS Number: 871571-29-8
Molecular Formula: C9H7F3O2
Molecular Weight: 204.1459
MDL Number: MFCD13185723
SMILES: OC(=O)c1ccc(c(c1)C)C(F)(F)F
Properties
Complexity: 225  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
871571-29-8    6638-79-5    871571-30-1 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2006/183756,2006,A1Locationinpatent:Page/Pagecolumn11

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-US2006/217387,2006,A1Locationinpatent:Page/Pagecolumn23

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-US2007/72879,2007,A1Locationinpatent:Page/Pagecolumn11

[4]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2005/123738,2005,A1Locationinpatent:Page/Pagecolumn27

871571-28-7    871571-29-8 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2006/183756,2006,A1Locationinpatent:Page/Pagecolumn11

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-US2006/217387,2006,A1Locationinpatent:Page/Pagecolumn23

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-US2007/72879,2007,A1Locationinpatent:Page/Pagecolumn11

[4]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2005/123738,2005,A1Locationinpatent:Page/Pagecolumn27

871571-29-8   
C11H9FS 
 
C20H14F4OS 

[1]CurrentPatentAssignee:NANTONGCHANYOOOPHARMATECH-CN108017612,2020,BLocationinpatent:Paragraph0030;0033

871571-29-8   
C11H9FS 
 
C20H16F4S 

[1]CurrentPatentAssignee:NANTONGCHANYOOOPHARMATECH-CN108017612,2020,B

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