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Home > Nitro Compounds > 77636-36-3
77636-36-3 | 2-Propen-1-one, 1-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (E)-
CAS No: 77636-36-3 Catalog No: AG0058MT MDL No:
Product Description
Catalog Number:
AG0058MT
Chemical Name:
2-Propen-1-one, 1-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (E)-
CAS Number:
77636-36-3
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
IUPAC Name:
(E)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO4/c1-21-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(8-3-12)17(19)20/h2-11H,1H3/b11-4+
InChI Key:
BUIDDTIFHZVUNT-NYYWCZLTSA-N
SMILES:
COc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
NSC Number:
40919
Properties
Complexity:
386
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 |
|---|---|
| Methoxychalcone inhibitors of androgen receptor translocation and function. | Bioorganic & medicinal chemistry letters 20120301 |
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