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104907-44-0,MFCD09813455
Catalog No.:AA0085GB

104907-44-0 | 3-(Trifluoromethyl)cyclohexane-1-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$170.00   $119.00
- +
1g
96%
in stock  
$408.00   $286.00
- +
5g
96%
in stock  
$1,202.00   $842.00
- +
10g
96%
in stock  
$1,918.00 $1,343.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0085GB
Chemical Name:
3-(Trifluoromethyl)cyclohexane-1-carboxylic acid
CAS Number:
104907-44-0
Molecular Formula:
C8H11F3O2
Molecular Weight:
196.1669
MDL Number:
MFCD09813455
SMILES:
OC(=O)C1CCCC(C1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
200  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC-WO2008/156607,2008,A1Locationinpatent:Page/Pagecolumn62

[2]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC-WO2009/100403,2009,A1Locationinpatent:Page/Pagecolumn49

777-12-8    104907-44-0   
3-(trifluoromethyl)-N-6-(trifluoromethyl)-1,3-benzothiazol-2-ylcyclohexane-1-carboxamide 

[1]BioorganicandMedicinalChemistryLetters,2018,vol.28,p.3177-3181

104907-44-0    63286-28-2   
(±)-cis-N'-(3-chloropyrazin-2-yl)-3-(trifluoromethyl)cyclohexanecarbohydrazide 
 
(±)-trans-N'-(3-chloropyrazin-2-yl)-3-(trifluoromethyl)cyclohexanecarbohydrazide 

[1]Patent:US2019/185479,2019,A1.Locationinpatent:Paragraph1660-1664

Literature
Quotation Request
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SDS
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Tags:104907-44-0 Molecular Formula|104907-44-0 MDL|104907-44-0 SMILES|104907-44-0 3-(Trifluoromethyl)cyclohexane-1-carboxylic acid
Catalog No.: AA0085GB
104907-44-0,MFCD09813455
104907-44-0 | 3-(Trifluoromethyl)cyclohexane-1-carboxylic acid
Pack Size： 250mg
Purity： 96%
in stock
$170.00 $119.00
Pack Size： 1g
Purity： 96%
in stock
$408.00 $286.00
Pack Size： 5g
Purity： 96%
in stock
$1,202.00 $842.00
Pack Size： 10g
Purity： 96%
in stock
$1,918.00 $1,343.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0085GB
Chemical Name: 3-(Trifluoromethyl)cyclohexane-1-carboxylic acid
CAS Number: 104907-44-0
Molecular Formula: C8H11F3O2
Molecular Weight: 196.1669
MDL Number: MFCD09813455
SMILES: OC(=O)C1CCCC(C1)C(F)(F)F
Properties
Complexity: 200  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
454-92-2    104907-44-0 

[1]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC-WO2008/156607,2008,A1Locationinpatent:Page/Pagecolumn62

[2]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC-WO2009/100403,2009,A1Locationinpatent:Page/Pagecolumn49

777-12-8    104907-44-0   
3-(trifluoromethyl)-N-6-(trifluoromethyl)-1,3-benzothiazol-2-ylcyclohexane-1-carboxamide 

[1]BioorganicandMedicinalChemistryLetters,2018,vol.28,p.3177-3181

104907-44-0    63286-28-2   
(±)-cis-N'-(3-chloropyrazin-2-yl)-3-(trifluoromethyl)cyclohexanecarbohydrazide 
 
(±)-trans-N'-(3-chloropyrazin-2-yl)-3-(trifluoromethyl)cyclohexanecarbohydrazide 

[1]Patent:US2019/185479,2019,A1.Locationinpatent:Paragraph1660-1664

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