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88406-95-5 | 2-Butene-1,4-dione, 2-(4-bromophenyl)-1,4-diphenyl-
CAS No: 88406-95-5 Catalog No: AG004KZD MDL No:
Product Description
Catalog Number:
AG004KZD
Chemical Name:
2-Butene-1,4-dione, 2-(4-bromophenyl)-1,4-diphenyl-
CAS Number:
88406-95-5
Molecular Formula:
C22H15BrO2
Molecular Weight:
391.2573
IUPAC Name:
2-(4-bromophenyl)-1,4-diphenylbut-2-ene-1,4-dione
InChI:
InChI=1S/C22H15BrO2/c23-19-13-11-16(12-14-19)20(22(25)18-9-5-2-6-10-18)15-21(24)17-7-3-1-4-8-17/h1-15H
InChI Key:
RXIASLDVWNUPIO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=CC(=O)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.026g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.264g/mol
Monoisotopic Mass:
390.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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