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Home > Nitro Compounds > 30608-86-7
30608-86-7 | 2-Propen-1-one, 1-(2-benzofuranyl)-3-(4-nitrophenyl)-
CAS No: 30608-86-7 Catalog No: AG0030OA MDL No:
Product Description
Catalog Number:
AG0030OA
Chemical Name:
2-Propen-1-one, 1-(2-benzofuranyl)-3-(4-nitrophenyl)-
CAS Number:
30608-86-7
Molecular Formula:
C17H11NO4
Molecular Weight:
293.2735
IUPAC Name:
1-(1-benzofuran-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H11NO4/c19-15(17-11-13-3-1-2-4-16(13)22-17)10-7-12-5-8-14(9-6-12)18(20)21/h1-11H
InChI Key:
FKFJUEMZSRFTHA-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(o1)cccc2)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.278g/mol
Monoisotopic Mass:
293.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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