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Home > Nitro Compounds > 160904-04-1
160904-04-1 | Quinoxaline, 2,3-bis(3-nitrophenyl)-
CAS No: 160904-04-1 Catalog No: AG001VGT MDL No:
Product Description
Catalog Number:
AG001VGT
Chemical Name:
Quinoxaline, 2,3-bis(3-nitrophenyl)-
CAS Number:
160904-04-1
Molecular Formula:
C20H12N4O4
Molecular Weight:
372.3337
IUPAC Name:
2,3-bis(3-nitrophenyl)quinoxaline
InChI:
InChI=1S/C20H12N4O4/c25-23(26)15-7-3-5-13(11-15)19-20(14-6-4-8-16(12-14)24(27)28)22-18-10-2-1-9-17(18)21-19/h1-12H
InChI Key:
XJEPHBIWCRKCJU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1nc2ccccc2nc1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.086g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.34g/mol
Monoisotopic Mass:
372.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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