Home Nitriles 4-Nitro-3-(trifluoromethyl)benzonitrile

4-Nitro-3-(trifluoromethyl)benzonitrile

CAS No.:
320-36-5
Catalog Number:
AG003LUT
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
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Product Description
Catalog Number:
AG003LUT
Chemical Name:
4-Nitro-3-(trifluoromethyl)benzonitrile
CAS Number:
320-36-5
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD05664270
IUPAC Name:
4-nitro-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13(14)15/h1-3H
InChI Key:
AVSDRULQBQMLES-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.015g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.119g/mol
Monoisotopic Mass:
216.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties