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78754-70-8 | Pyrazine, 2-chloro-3,5-diphenyl-, 1-oxide
CAS No: 78754-70-8 Catalog No: AG005JUH MDL No:
Product Description
Catalog Number:
AG005JUH
Chemical Name:
Pyrazine, 2-chloro-3,5-diphenyl-, 1-oxide
CAS Number:
78754-70-8
Molecular Formula:
C16H11ClN2O
Molecular Weight:
282.7243
IUPAC Name:
2-chloro-1-oxido-3,5-diphenylpyrazin-1-ium
InChI:
InChI=1S/C16H11ClN2O/c17-16-15(13-9-5-2-6-10-13)18-14(11-19(16)20)12-7-3-1-4-8-12/h1-11H
InChI Key:
XPSSIEPFZQGADN-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc(nc(c1Cl)c1ccccc1)c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.727g/mol
Monoisotopic Mass:
282.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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