Home Nitros Benzene, (2-nitroethenyl)-

Benzene, (2-nitroethenyl)-

CAS No.:
102-96-5
Catalog Number:
AG000696
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
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Product Description
Catalog Number:
AG000696
Chemical Name:
Benzene, (2-nitroethenyl)-
CAS Number:
102-96-5
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00007402
IUPAC Name:
[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChI Key:
PIAOLBVUVDXHHL-VOTSOKGWSA-N
SMILES:
[O-][N+](=O)C=Cc1ccccc1
EC Number:
203-066-0
UNII:
5287E3OUAV
NSC Number:
9809
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
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Sequential catalytic role of bifunctional bicyclic guanidine in asymmetric phospha-Michael reaction. Organic & biomolecular chemistry 20110621
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Beta-nitrostyrene derivatives as potential antibacterial agents: a structure-property-activity relationship study. Bioorganic & medicinal chemistry 20060615
trans-Beta-nitrostyrene derivatives as slow-binding inhibitors of protein tyrosine phosphatases. Biochemistry 20041130
'Inverse-electron-demand' ligand substitution: experimental and computational insights into olefin exchange at palladium(0). Journal of the American Chemical Society 20041117
Identification of synthetic precursors of amphetamine-like drugs using Raman spectroscopy and ab initio calculations: beta-Methyl-beta-nitrostyrene derivatives. The Analyst 20041101
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Synthesis of styrenes through the biocatalytic decarboxylation of trans-cinnamic acids by plant cell cultures. Chemical & pharmaceutical bulletin 20010501
Properties