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Home > Fluorides > 1133115-83-9
1133115-83-9 | 5-Nitro-6-(trifluoromethoxy)quinoline
CAS No: 1133115-83-9 Catalog No: AG003MWX MDL No:MFCD11855900
Product Description
Catalog Number:
AG003MWX
Chemical Name:
5-Nitro-6-(trifluoromethoxy)quinoline
CAS Number:
1133115-83-9
Molecular Formula:
C10H5F3N2O3
Molecular Weight:
258.1535
MDL Number:
MFCD11855900
IUPAC Name:
5-nitro-6-(trifluoromethoxy)quinoline
InChI:
InChI=1S/C10H5F3N2O3/c11-10(12,13)18-8-4-3-7-6(2-1-5-14-7)9(8)15(16)17/h1-5H
InChI Key:
UXFDSUZDFANKFP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc2c1cccn2)OC(F)(F)F
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.025g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.156g/mol
Monoisotopic Mass:
258.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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