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84328-69-8 | Benzonitrile, 5-nitro-2-(2,2,2-trifluoroethoxy)-
CAS No: 84328-69-8 Catalog No: AG004T8T MDL No:
Product Description
Catalog Number:
AG004T8T
Chemical Name:
Benzonitrile, 5-nitro-2-(2,2,2-trifluoroethoxy)-
CAS Number:
84328-69-8
Molecular Formula:
C9H5F3N2O3
Molecular Weight:
246.1428
IUPAC Name:
5-nitro-2-(2,2,2-trifluoroethoxy)benzonitrile
InChI:
InChI=1S/C9H5F3N2O3/c10-9(11,12)5-17-8-2-1-7(14(15)16)3-6(8)4-13/h1-3H,5H2
InChI Key:
JXRATVBBBAMWJY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OCC(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.145g/mol
Monoisotopic Mass:
246.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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