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1227489-72-6,MFCD16606333
Catalog No.:AA000J67

1227489-72-6 | 3-Nitro-4-(trifluoromethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$72.00   $50.00
- +
5g
97%
in stock  
$187.00 $131.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000J67
Chemical Name:
3-Nitro-4-(trifluoromethyl)benzonitrile
CAS Number:
1227489-72-6
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD16606333
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
Properties
Computed Properties
 
Complexity:
301  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

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Tags:1227489-72-6 Molecular Formula|1227489-72-6 MDL|1227489-72-6 SMILES|1227489-72-6 3-Nitro-4-(trifluoromethyl)benzonitrile
Catalog No.: AA000J67
1227489-72-6,MFCD16606333
1227489-72-6 | 3-Nitro-4-(trifluoromethyl)benzonitrile
Pack Size： 1g
Purity： 97%
in stock
$72.00 $50.00
Pack Size： 5g
Purity： 97%
in stock
$187.00 $131.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA000J67
Chemical Name: 3-Nitro-4-(trifluoromethyl)benzonitrile
CAS Number: 1227489-72-6
Molecular Formula: C8H3F3N2O2
Molecular Weight: 216.1168
MDL Number: MFCD16606333
SMILES: N#Cc1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
Properties
Complexity: 301  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
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