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Home > Nitro Compounds > 162705-13-7
162705-13-7 | Benzene, 1,2,3-trimethoxy-5-[(1Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-
CAS No: 162705-13-7 Catalog No: AG001TD3 MDL No:
Product Description
Catalog Number:
AG001TD3
Chemical Name:
Benzene, 1,2,3-trimethoxy-5-[(1Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-
CAS Number:
162705-13-7
Molecular Formula:
C18H19NO6
Molecular Weight:
345.3466
IUPAC Name:
1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene
InChI:
InChI=1S/C18H19NO6/c1-22-15-8-7-12(9-14(15)19(20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3/b6-5-
InChI Key:
PXLJRDOKORMMCA-WAYWQWQTSA-N
SMILES:
COc1cc(/C=C\c2ccc(c(c2)[N+](=O)[O-])OC)cc(c1OC)OC
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
345.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.351g/mol
Monoisotopic Mass:
345.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of combretastatin analogs as cell cycle inhibitors of the G1 to S transition in Saccharomyces cerevisiae. | Bioorganic & medicinal chemistry letters 20100501 |
| Synthesis and biological activity of fluorinated combretastatin analogues. | Journal of medicinal chemistry 20080508 |
| Antineoplastic agents. 445. Synthesis and evaluation of structural modifications of (Z)- and (E)-combretastatin A-41. | Journal of medicinal chemistry 20050616 |
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