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130711-05-6 | Quinoxaline, 2,3-bis(4-chloro-3-nitrophenyl)-
CAS No: 130711-05-6 Catalog No: AG000UTR MDL No:
Product Description
Catalog Number:
AG000UTR
Chemical Name:
Quinoxaline, 2,3-bis(4-chloro-3-nitrophenyl)-
CAS Number:
130711-05-6
Molecular Formula:
C20H10Cl2N4O4
Molecular Weight:
441.2238
IUPAC Name:
2,3-bis(4-chloro-3-nitrophenyl)quinoxaline
InChI:
InChI=1S/C20H10Cl2N4O4/c21-13-7-5-11(9-17(13)25(27)28)19-20(24-16-4-2-1-3-15(16)23-19)12-6-8-14(22)18(10-12)26(29)30/h1-10H
InChI Key:
GICVKWUSVFLKDU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)c1nc2ccccc2nc1c1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.008g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.224g/mol
Monoisotopic Mass:
440.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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