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Home > Nitro Compounds > 126653-41-6
126653-41-6 | Benzo[g]quinoxalin-2(1H)-one, 3-(3,4-dihydroxy-5-nitrophenyl)-
CAS No: 126653-41-6 Catalog No: AG000T1V MDL No:
Product Description
Catalog Number:
AG000T1V
Chemical Name:
Benzo[g]quinoxalin-2(1H)-one, 3-(3,4-dihydroxy-5-nitrophenyl)-
CAS Number:
126653-41-6
Molecular Formula:
C18H11N3O5
Molecular Weight:
349.2970
IUPAC Name:
3-(3,4-dihydroxy-5-nitrophenyl)-1H-benzo[g]quinoxalin-2-one
InChI:
InChI=1S/C18H11N3O5/c22-15-8-11(7-14(17(15)23)21(25)26)16-18(24)20-13-6-10-4-2-1-3-9(10)5-12(13)19-16/h1-8,22-23H,(H,20,24)
InChI Key:
MFSFAPHCRNJGRS-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1O)[N+](=O)[O-])c1nc2cc3ccccc3cc2[nH]c1=O
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.07g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
349.302g/mol
Monoisotopic Mass:
349.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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