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Home > Nitro Compounds > 123979-61-3
123979-61-3 | Benzene, 1,1'-(1,3,5,7,9-decapentaene-1,10-diyl)bis[4-nitro-
CAS No: 123979-61-3 Catalog No: AG000LBG MDL No:
Product Description
Catalog Number:
AG000LBG
Chemical Name:
Benzene, 1,1'-(1,3,5,7,9-decapentaene-1,10-diyl)bis[4-nitro-
CAS Number:
123979-61-3
Molecular Formula:
C22H18N2O4
Molecular Weight:
374.3893
IUPAC Name:
1-nitro-4-[10-(4-nitrophenyl)deca-1,3,5,7,9-pentaenyl]benzene
InChI:
InChI=1S/C22H18N2O4/c25-23(26)21-15-11-19(12-16-21)9-7-5-3-1-2-4-6-8-10-20-13-17-22(18-14-20)24(27)28/h1-18H
InChI Key:
FFCMQWQQUMRRRC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C=CC=CC=CC=CC=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.127g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.396g/mol
Monoisotopic Mass:
374.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
5
XLogP3:
6.4
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