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Home > Nitro Compounds > 189383-96-8
189383-96-8 | 5,12-Naphthacenedione, 6-[4-[2-(4-nitrophenyl)diazenyl]phenoxy]-
CAS No: 189383-96-8 Catalog No: AG002DLU MDL No:
Product Description
Catalog Number:
AG002DLU
Chemical Name:
5,12-Naphthacenedione, 6-[4-[2-(4-nitrophenyl)diazenyl]phenoxy]-
CAS Number:
189383-96-8
Molecular Formula:
C30H17N3O5
Molecular Weight:
499.4731
IUPAC Name:
6-[4-[(4-nitrophenyl)diazenyl]phenoxy]tetracene-5,12-dione
InChI:
InChI=1S/C30H17N3O5/c34-28-24-7-3-4-8-25(24)29(35)27-26(28)17-18-5-1-2-6-23(18)30(27)38-22-15-11-20(12-16-22)32-31-19-9-13-21(14-10-19)33(36)37/h1-17H
InChI Key:
NGHFMBKLULOWML-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1cc1ccccc1c2Oc1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
917
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.117g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
499.482g/mol
Monoisotopic Mass:
499.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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