CAS 1222-98-6 | 2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl- | CAS Number 1222-98-6

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1222-98-6 | 2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-

CAS No: 1222-98-6 Catalog No: AG0016XD MDL No:MFCD00007382

Product Description

Catalog Number:

AG0016XD

Chemical Name:

2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-

CAS Number:

1222-98-6

Molecular Formula:

C15H11NO3

Molecular Weight:

253.2527

MDL Number:

MFCD00007382

IUPAC Name:

(E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one

InChI:

InChI=1S/C15H11NO3/c17-15(13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)16(18)19/h1-11H/b11-8+

InChI Key:

WDZGGAFMGIOIQS-DHZHZOJOSA-N

SMILES:

O=C(c1ccccc1)C=Cc1ccc(cc1)[N+](=O)[O-]

EC Number:

214-949-5

UNII:

YT67D88ODY

NSC Number:

636936

Properties

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.257g/mol

Monoisotopic Mass:

253.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Design, synthesis and exploring the quantitative structure-activity relationship of some antioxidant flavonoid analogues.	Bioorganic & medicinal chemistry letters 20141101
Synthesis and in vitro evaluation of novel tetrazole embedded 1,3,5-trisubstituted pyrazoline derivatives as Entamoeba histolytica growth inhibitors.	European journal of medicinal chemistry 20120801
Methoxychalcone inhibitors of androgen receptor translocation and function.	Bioorganic & medicinal chemistry letters 20120301
Discovery and structure-activity relationship analysis of Staphylococcus aureus sortase A inhibitors.	Bioorganic & medicinal chemistry 20091015
DNA-targeting pyrroloquinoline-linked butenone and chalcones: synthesis and biological evaluation.	European journal of medicinal chemistry 20090701
Study on the substituents' effects of a series of synthetic chalcones against the yeast Candida albicans.	European journal of medicinal chemistry 20070101
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