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Home Other Building Blocks 2-NITROCHALCONE

2-NITROCHALCONE

CAS No.:
7473-93-0
Catalog Number:
AG003HSJ
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
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Product Description
Catalog Number:
AG003HSJ
Chemical Name:
2-NITROCHALCONE
CAS Number:
7473-93-0
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
MDL Number:
MFCD00031069
IUPAC Name:
(E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C15H11NO3/c17-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)16(18)19/h1-11H/b11-10+
InChI Key:
KTXHLWZQKQDFRF-ZHACJKMWSA-N
SMILES:
O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-]
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Methoxychalcone inhibitors of androgen receptor translocation and function. Bioorganic & medicinal chemistry letters 20120301
Novel chalcone derivatives as potent Nrf2 activators in mice and human lung epithelial cells. Journal of medicinal chemistry 20110623
In vitro antifungal evaluation and structure-activity relationships of a new series of chalcone derivatives and synthetic analogues, with inhibitory properties against polymers of the fungal cell wall. Bioorganic & medicinal chemistry 20010801
Properties