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13909-51-8 | 2-Propen-1-one, 3-(4-bromophenyl)-1-(4-nitrophenyl)-
CAS No: 13909-51-8 Catalog No: AG001A9C MDL No:
Product Description
Catalog Number:
AG001A9C
Chemical Name:
2-Propen-1-one, 3-(4-bromophenyl)-1-(4-nitrophenyl)-
CAS Number:
13909-51-8
Molecular Formula:
C15H10BrNO3
Molecular Weight:
332.1488
IUPAC Name:
3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C15H10BrNO3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(9-5-12)17(19)20/h1-10H
InChI Key:
YFLUWJRKMBXCSC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C=CC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.984g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.153g/mol
Monoisotopic Mass:
330.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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