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Home > Nitro Compounds > 88685-92-1
88685-92-1 | 4H-1-Benzopyran-4-one, 7,8-dimethoxy-3-nitro-2-(2-quinolinyl)-
CAS No: 88685-92-1 Catalog No: AG0047UF MDL No:
Product Description
Catalog Number:
AG0047UF
Chemical Name:
4H-1-Benzopyran-4-one, 7,8-dimethoxy-3-nitro-2-(2-quinolinyl)-
CAS Number:
88685-92-1
Molecular Formula:
C20H14N2O6
Molecular Weight:
378.3350
IUPAC Name:
7,8-dimethoxy-3-nitro-2-quinolin-2-ylchromen-4-one
InChI:
InChI=1S/C20H14N2O6/c1-26-15-10-8-12-17(23)16(22(24)25)19(28-18(12)20(15)27-2)14-9-7-11-5-3-4-6-13(11)21-14/h3-10H,1-2H3
InChI Key:
FKKFRTZMBCWWPC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC)oc(c(c2=O)[N+](=O)[O-])c1ccc2c(n1)cccc2
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.085g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.34g/mol
Monoisotopic Mass:
378.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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