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Home > Nitro Compounds > 5576-98-7
5576-98-7 | 1-nitro-4-(2-nitroethenyl)benzene
CAS No: 5576-98-7 Catalog No: AG01A5OJ MDL No:MFCD00052058
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:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.146g/mol
Monoisotopic Mass:
194.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| (E)-1-Nitro-4-(2-nitro-ethen-yl)benzene. | Acta crystallographica. Section E, Structure reports online 20091101 |
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