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Home > Nitro Compounds > 669769-62-4
669769-62-4 | Quinoline, 6,7-dimethoxy-4-nitro-3-(6-nitro-1,3-benzodioxol-5-yl)-
CAS No: 669769-62-4 Catalog No: AG005RVW MDL No:
Product Description
Catalog Number:
AG005RVW
Chemical Name:
Quinoline, 6,7-dimethoxy-4-nitro-3-(6-nitro-1,3-benzodioxol-5-yl)-
CAS Number:
669769-62-4
Molecular Formula:
C18H13N3O8
Molecular Weight:
399.3111
IUPAC Name:
6,7-dimethoxy-4-nitro-3-(6-nitro-1,3-benzodioxol-5-yl)quinoline
InChI:
InChI=1S/C18H13N3O8/c1-26-14-4-10-12(5-15(14)27-2)19-7-11(18(10)21(24)25)9-3-16-17(29-8-28-16)6-13(9)20(22)23/h3-7H,8H2,1-2H3
InChI Key:
GRWXRGAIBNTVTB-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)ncc(c2[N+](=O)[O-])c1cc2OCOc2cc1[N+](=O)[O-]
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.07g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.315g/mol
Monoisotopic Mass:
399.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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