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87547-91-9 | Pyrazine, 2-(4-methoxyphenyl)-5-(4-methylphenyl)-
CAS No: 87547-91-9 Catalog No: AG004EZG MDL No:
Product Description
Catalog Number:
AG004EZG
Chemical Name:
Pyrazine, 2-(4-methoxyphenyl)-5-(4-methylphenyl)-
CAS Number:
87547-91-9
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
2-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazine
InChI:
InChI=1S/C18H16N2O/c1-13-3-5-14(6-4-13)17-11-20-18(12-19-17)15-7-9-16(21-2)10-8-15/h3-12H,1-2H3
InChI Key:
SMQFGDFWZXMFGB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(cn1)c1ccc(cc1)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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