Name: Name:Benzene, 1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis[2-nitro-
Brand: Angene
SKU: AG004MK7
Rating: 90 (10 reviews)

Benzene, 1,1'-(1E,3E)-1,3-butadiene-1,4-diylbis[2-nitro-

CAS No.:

87259-89-0

Catalog Number:

AG004MK7

Molecular Formula:

C16H12N2O4

Molecular Weight:

296.2775

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:

MFCD00167222

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-]

Complexity:

408

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.282g/mol

Monoisotopic Mass:

296.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5