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Home > Nitro Compounds > 1365644-00-3
1365644-00-3 | (2E)-1-(2,5-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CAS No: 1365644-00-3 Catalog No: AG00JU63 MDL No:MFCD07671286
Product Description
Catalog Number:
AG00JU63
Chemical Name:
(2E)-1-(2,5-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
1365644-00-3
Molecular Formula:
C17H15NO5
Molecular Weight:
313.3047
MDL Number:
MFCD07671286
IUPAC Name:
(E)-1-(2,5-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H15NO5/c1-22-14-7-9-17(23-2)15(11-14)16(19)8-6-12-4-3-5-13(10-12)18(20)21/h3-11H,1-2H3/b8-6+
InChI Key:
QAAWNBJDXKMYEK-SOFGYWHQSA-N
SMILES:
COc1ccc(c(c1)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])OC
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
313.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.309g/mol
Monoisotopic Mass:
313.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^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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