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Home > Fluorides > 1312605-88-1
1312605-88-1 | Pyridine, 2-ethenyl-5-fluoro-3-nitro-
CAS No: 1312605-88-1 Catalog No: AG000VTK MDL No:
Product Description
Catalog Number:
AG000VTK
Chemical Name:
Pyridine, 2-ethenyl-5-fluoro-3-nitro-
CAS Number:
1312605-88-1
Molecular Formula:
C7H5FN2O2
Molecular Weight:
168.1252
IUPAC Name:
2-ethenyl-5-fluoro-3-nitropyridine
InChI:
InChI=1S/C7H5FN2O2/c1-2-6-7(10(11)12)3-5(8)4-9-6/h2-4H,1H2
InChI Key:
IFDUFASMRQDFKL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(F)cnc1C=C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.127g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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