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19802-70-1 | Quinoxaline, 2,3-bis(4-bromophenyl)-
CAS No: 19802-70-1 Catalog No: AG002B80 MDL No:
Product Description
Catalog Number:
AG002B80
Chemical Name:
Quinoxaline, 2,3-bis(4-bromophenyl)-
CAS Number:
19802-70-1
Molecular Formula:
C20H12Br2N2
Molecular Weight:
440.1307
IUPAC Name:
2,3-bis(4-bromophenyl)quinoxaline
InChI:
InChI=1S/C20H12Br2N2/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19/h1-12H
InChI Key:
WATVCMJLZPTSSS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc2ccccc2nc1c1ccc(cc1)Br
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.935g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.138g/mol
Monoisotopic Mass:
437.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| 2,3-Bis(4-bromo-phen-yl)quinoxaline. | Acta crystallographica. Section E, Structure reports online 20080101 |
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