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Home > Nitro Compounds > 6028-92-8
6028-92-8 | 1-(4-Nitrophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
CAS No: 6028-92-8 Catalog No: AG003D0S MDL No:MFCD00022531
Product Description
Catalog Number:
AG003D0S
Chemical Name:
1-(4-Nitrophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
CAS Number:
6028-92-8
Molecular Formula:
C13H9NO3S
Molecular Weight:
259.2805
MDL Number:
MFCD00022531
IUPAC Name:
(E)-1-(4-nitrophenyl)-3-thiophen-2-ylprop-2-en-1-one
InChI:
InChI=1S/C13H9NO3S/c15-13(8-7-12-2-1-9-18-12)10-3-5-11(6-4-10)14(16)17/h1-9H/b8-7+
InChI Key:
QZLINQZBUKTXIZ-BQYQJAHWSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1cccs1
NSC Number:
657760
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.279g/mol
Monoisotopic Mass:
259.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Reinvestigation of structure-activity relationship of methoxylated chalcones as antimalarials: synthesis and evaluation of 2,4,5-trimethoxy substituted patterns as lead candidates derived from abundantly available natural β-asarone. | European journal of medicinal chemistry 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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