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Home > Nitro Compounds > 87259-89-0
87259-89-0 | Benzene, 1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis[2-nitro-
CAS No: 87259-89-0 Catalog No: AG004MK7 MDL No:MFCD00075467
Product Description
Catalog Number:
AG004MK7
Chemical Name:
Benzene, 1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis[2-nitro-
CAS Number:
87259-89-0
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
MDL Number:
MFCD00075467
IUPAC Name:
1-nitro-2-[4-(2-nitrophenyl)buta-1,3-dienyl]benzene
InChI:
InChI=1S/C16H12N2O4/c19-17(20)15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18(21)22/h1-12H
InChI Key:
NOBVYURTQVHAAH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1/C=C/C=C/c1ccccc1[N+](=O)[O-]
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.5
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