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85808-76-0 | 1,4-Naphthalenedione, 2-[4-(diethylamino)phenyl]-5-nitro-
CAS No: 85808-76-0 Catalog No: AG004RK7 MDL No:
Product Description
Catalog Number:
AG004RK7
Chemical Name:
1,4-Naphthalenedione, 2-[4-(diethylamino)phenyl]-5-nitro-
CAS Number:
85808-76-0
Molecular Formula:
C20H18N2O4
Molecular Weight:
350.3679
IUPAC Name:
2-[4-(diethylamino)phenyl]-5-nitronaphthalene-1,4-dione
InChI:
InChI=1S/C20H18N2O4/c1-3-21(4-2)14-10-8-13(9-11-14)16-12-18(23)19-15(20(16)24)6-5-7-17(19)22(25)26/h5-12H,3-4H2,1-2H3
InChI Key:
DQDKYZGHKVGNOR-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C1=CC(=O)c2c(C1=O)cccc2[N+](=O)[O-])CC
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.374g/mol
Monoisotopic Mass:
350.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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