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115665-95-7 | Benzene, 1-bromo-3-[(1E)-2-nitroethenyl]-
CAS No: 115665-95-7 Catalog No: AG000GPI MDL No:
Product Description
Catalog Number:
AG000GPI
Chemical Name:
Benzene, 1-bromo-3-[(1E)-2-nitroethenyl]-
CAS Number:
115665-95-7
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
IUPAC Name:
1-bromo-3-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C8H6BrNO2/c9-8-3-1-2-7(6-8)4-5-10(11)12/h1-6H/b5-4+
InChI Key:
NWHBBZILZXZIBO-SNAWJCMRSA-N
SMILES:
[O-][N+](=O)/C=C/c1cccc(c1)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
226.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.045g/mol
Monoisotopic Mass:
226.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of N-acetyl-beta-aryl-1,2-didehydroethylamines as new HIV-1 RT inhibitors in vitro. | Bioorganic & medicinal chemistry letters 20070815 |
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