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Home > Nitro Compounds > 858644-41-4
858644-41-4 | (2E)-1-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CAS No: 858644-41-4 Catalog No: AG00JUFM MDL No:MFCD21335218
Product Description
Catalog Number:
AG00JUFM
Chemical Name:
(2E)-1-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
858644-41-4
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
MDL Number:
MFCD21335218
IUPAC Name:
(E)-1-(2-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO4/c1-21-16-8-3-2-7-14(16)15(18)10-9-12-5-4-6-13(11-12)17(19)20/h2-11H,1H3/b10-9+
InChI Key:
WKUFVJLMBYHKBU-MDZDMXLPSA-N
SMILES:
COc1ccccc1C(=O)/C=C/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 |
|---|---|
| Methoxychalcone inhibitors of androgen receptor translocation and function. | Bioorganic & medicinal chemistry letters 20120301 |
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