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189289-18-7 | Pyrazine, 2,5-bis[2-(4-bromo-2,5-dimethoxyphenyl)ethenyl]-
CAS No: 189289-18-7 Catalog No: AG002I7Z MDL No:
Product Description
Catalog Number:
AG002I7Z
Chemical Name:
Pyrazine, 2,5-bis[2-(4-bromo-2,5-dimethoxyphenyl)ethenyl]-
CAS Number:
189289-18-7
Molecular Formula:
C24H22Br2N2O4
Molecular Weight:
562.2505
IUPAC Name:
2,5-bis[2-(4-bromo-2,5-dimethoxyphenyl)ethenyl]pyrazine
InChI:
InChI=1S/C24H22Br2N2O4/c1-29-21-11-19(25)23(31-3)9-15(21)5-7-17-13-28-18(14-27-17)8-6-16-10-24(32-4)20(26)12-22(16)30-2/h5-14H,1-4H3
InChI Key:
RSMSZSKWLGFHOC-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(cc1C=Cc1ncc(nc1)C=Cc1cc(OC)c(cc1OC)Br)OC
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.993g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
562.258g/mol
Monoisotopic Mass:
559.995g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.7
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