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900254-47-9,MFCD14698082
Catalog No.:AA00GYKR

900254-47-9 | Methyl 4-nitro-2-(trifluoromethyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$11.00   $8.00
- +
250mg
97%
in stock  
$13.00   $9.00
- +
1g
97%
in stock  
$29.00   $20.00
- +
5g
97%
in stock  
$39.00   $27.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GYKR
Chemical Name:
Methyl 4-nitro-2-(trifluoromethyl)benzoate
CAS Number:
900254-47-9
Molecular Formula:
C9H6F3NO4
Molecular Weight:
249.1434
MDL Number:
MFCD14698082
SMILES:
COC(=O)c1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
312  
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:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Upstream Synthesis Route

[1]Patent:US2006/160803,2006,A1,.Locationinpatent:Page/Pagecolumn140

[1]Patent:WO2009/71519,2009,A1,.Locationinpatent:Page/Pagecolumn23

[2]Patent:WO2007/138033,2007,A1,.Locationinpatent:Page/Pagecolumn34

Downstream Synthesis Route

[1]Patent:WO2009/71519,2009,A1.Locationinpatent:Page/Pagecolumn23

[2]Patent:WO2007/138033,2007,A1.Locationinpatent:Page/Pagecolumn34

[1]Patent:US2006/160803,2006,A1.Locationinpatent:Page/Pagecolumn140

[2]Patent:WO2009/71519,2009,A1.Locationinpatent:Page/Pagecolumn23

[3]Patent:WO2007/138033,2007,A1.Locationinpatent:Page/Pagecolumn35

[1]Patent:US2006/160803,2006,A1.Locationinpatent:Page/Pagecolumn140

Literature
Quotation Request
Company Name:
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Contact Person:
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Email:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:900254-47-9 Molecular Formula|900254-47-9 MDL|900254-47-9 SMILES|900254-47-9 Methyl 4-nitro-2-(trifluoromethyl)benzoate
Catalog No.: AA00GYKR
900254-47-9,MFCD14698082
900254-47-9 | Methyl 4-nitro-2-(trifluoromethyl)benzoate
Pack Size： 100mg
Purity： 97%
in stock
$11.00 $8.00
Pack Size： 250mg
Purity： 97%
in stock
$13.00 $9.00
Pack Size： 1g
Purity： 97%
in stock
$29.00 $20.00
Pack Size： 5g
Purity： 97%
in stock
$39.00 $27.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00GYKR
Chemical Name: Methyl 4-nitro-2-(trifluoromethyl)benzoate
CAS Number: 900254-47-9
Molecular Formula: C9H6F3NO4
Molecular Weight: 249.1434
MDL Number: MFCD14698082
SMILES: COC(=O)c1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity: 312  
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: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Upstream Synthesis Route
67-56-1    393-06-6    900254-47-9 

[1]Patent:US2006/160803,2006,A1,.Locationinpatent:Page/Pagecolumn140

67-56-1    320-37-6    900254-47-9 

[1]Patent:WO2009/71519,2009,A1,.Locationinpatent:Page/Pagecolumn23

[2]Patent:WO2007/138033,2007,A1,.Locationinpatent:Page/Pagecolumn34

Downstream Synthesis Route
67-56-1    320-37-6    900254-47-9 

[1]Patent:WO2009/71519,2009,A1.Locationinpatent:Page/Pagecolumn23

[2]Patent:WO2007/138033,2007,A1.Locationinpatent:Page/Pagecolumn34

900254-47-9    894796-87-3 

[1]Patent:US2006/160803,2006,A1.Locationinpatent:Page/Pagecolumn140

[2]Patent:WO2009/71519,2009,A1.Locationinpatent:Page/Pagecolumn23

[3]Patent:WO2007/138033,2007,A1.Locationinpatent:Page/Pagecolumn35

67-56-1    393-06-6    900254-47-9 

[1]Patent:US2006/160803,2006,A1.Locationinpatent:Page/Pagecolumn140

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