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Home > Nitro Compounds > 18039-40-2
18039-40-2 | Quinoxaline, 2-[(3-nitrophenyl)methyl]-3-phenyl-
CAS No: 18039-40-2 Catalog No: AG0021YX MDL No:
Product Description
Catalog Number:
AG0021YX
Chemical Name:
Quinoxaline, 2-[(3-nitrophenyl)methyl]-3-phenyl-
CAS Number:
18039-40-2
Molecular Formula:
C21H15N3O2
Molecular Weight:
341.3627
IUPAC Name:
2-[(3-nitrophenyl)methyl]-3-phenylquinoxaline
InChI:
InChI=1S/C21H15N3O2/c25-24(26)17-10-6-7-15(13-17)14-20-21(16-8-2-1-3-9-16)23-19-12-5-4-11-18(19)22-20/h1-13H,14H2
InChI Key:
OVBYMHWXDMKPBS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)Cc1nc2ccccc2nc1c1ccccc1
NSC Number:
150259
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.37g/mol
Monoisotopic Mass:
341.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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