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Home > Nitro Compounds > 1891-10-7
1891-10-7 | Benzene, 2,4-dimethoxy-1-(2-nitroethenyl)-
CAS No: 1891-10-7 Catalog No: AG002HVP MDL No:
Product Description
Catalog Number:
AG002HVP
Chemical Name:
Benzene, 2,4-dimethoxy-1-(2-nitroethenyl)-
CAS Number:
1891-10-7
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3/b6-5+
InChI Key:
NUMXHEUHHRTBQT-AATRIKPKSA-N
SMILES:
COc1cc(OC)ccc1C=C[N+](=O)[O-]
NSC Number:
122235
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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