Name: Name:1-nitro-4-(2-nitroethenyl)benzene
Brand: Angene
SKU: AG01A5OJ
Rating: 90 (10 reviews)

1-nitro-4-(2-nitroethenyl)benzene

CAS No.:

5576-98-7

Catalog Number:

AG01A5OJ

Molecular Formula:

C8H6N2O4

Molecular Weight:

194.1442

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Product Description

Catalog Number:

AG01A5OJ

Chemical Name:

1-nitro-4-(2-nitroethenyl)benzene

CAS Number:

5576-98-7

Molecular Formula:

C8H6N2O4

Molecular Weight:

194.1442

MDL Number:

MFCD00052058

IUPAC Name:

1-nitro-4-(2-nitroethenyl)benzene

InChI:

InChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H

InChI Key:

HABXLWPUIWFTNM-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)C=Cc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.146g/mol

Monoisotopic Mass:

194.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
(E)-1-Nitro-4-(2-nitro-ethen-yl)benzene.	Acta crystallographica. Section E, Structure reports online 20091101