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207601-78-3 | 1,2,4-Triazine, 3-(2-furanyl)-6-phenyl-, 4-oxide
CAS No: 207601-78-3 Catalog No: AG002J61 MDL No:
Product Description
Catalog Number:
AG002J61
Chemical Name:
1,2,4-Triazine, 3-(2-furanyl)-6-phenyl-, 4-oxide
CAS Number:
207601-78-3
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
IUPAC Name:
3-(furan-2-yl)-4-oxido-6-phenyl-1,2,4-triazin-4-ium
InChI:
InChI=1S/C13H9N3O2/c17-16-9-11(10-5-2-1-3-6-10)14-15-13(16)12-7-4-8-18-12/h1-9H
InChI Key:
LPOVARMMNJEZHI-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc(nnc1c1ccco1)c1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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