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Home > Nitro Compounds > 1227297-66-6
1227297-66-6 | (2E)-3-(2-methoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS No: 1227297-66-6 Catalog No: AG00JU3Y MDL No:
Product Description
Catalog Number:
AG00JU3Y
Chemical Name:
(2E)-3-(2-methoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
1227297-66-6
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
IUPAC Name:
(E)-3-(2-methoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO4/c1-21-16-8-3-2-5-12(16)9-10-15(18)13-6-4-7-14(11-13)17(19)20/h2-11H,1H3/b10-9+
InChI Key:
JITMOHYMUMTQBM-MDZDMXLPSA-N
SMILES:
COc1ccccc1/C=C/C(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Synthesis, antimycobacterial activity evaluation, and QSAR studies of chalcone derivatives. | Bioorganic & medicinal chemistry letters 20070315 |
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