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Home > Fluorides > 1227581-80-7
1227581-80-7 | Benzonitrile, 2-nitro-6-(trifluoromethyl)-
CAS No: 1227581-80-7 Catalog No: AG000JCV MDL No:MFCD16606330
Product Description
Catalog Number:
AG000JCV
Chemical Name:
Benzonitrile, 2-nitro-6-(trifluoromethyl)-
CAS Number:
1227581-80-7
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD16606330
IUPAC Name:
2-nitro-6-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-3-7(13(14)15)5(6)4-12/h1-3H
InChI Key:
YRZJMLWYQLTJHS-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1C(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:
2.4
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