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86255-45-0

86255-45-0 | 2,4,5-Trimethoxy-ω-nitrostyrene

CAS No: 86255-45-0 Catalog No: AG01E5J9 MDL No:

Product Description

Catalog Number:
AG01E5J9
Chemical Name:
2,4,5-Trimethoxy-ω-nitrostyrene
CAS Number:
86255-45-0
IUPAC Name:
1,2,4-trimethoxy-5-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C11H13NO5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3/b5-4+
InChI Key:
DPZJDIXHUBSWDS-SNAWJCMRSA-N
NSC Number:
294440

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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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