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Home > Nitro Compounds > 89807-55-6
89807-55-6 | 2-Propen-1-one, 3-[1,1'-biphenyl]-4-yl-1-(4-nitrophenyl)-
CAS No: 89807-55-6 Catalog No: AG003ZBE MDL No:
Product Description
Catalog Number:
AG003ZBE
Chemical Name:
2-Propen-1-one, 3-[1,1'-biphenyl]-4-yl-1-(4-nitrophenyl)-
CAS Number:
89807-55-6
Molecular Formula:
C21H15NO3
Molecular Weight:
329.3487
IUPAC Name:
1-(4-nitrophenyl)-3-(4-phenylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C21H15NO3/c23-21(19-11-13-20(14-12-19)22(24)25)15-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-15H
InChI Key:
YBHJOGROZJJWFU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C=Cc1ccc(cc1)c1ccccc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.355g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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