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115846-95-2 | 1,4-Pentadien-3-one, 1,5-bis(4-bromophenyl)-, (1E,4E)-
CAS No: 115846-95-2 Catalog No: AG000GY4 MDL No:
Product Description
Catalog Number:
AG000GY4
Chemical Name:
1,4-Pentadien-3-one, 1,5-bis(4-bromophenyl)-, (1E,4E)-
CAS Number:
115846-95-2
Molecular Formula:
C17H12Br2O
Molecular Weight:
392.0846
IUPAC Name:
1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
InChI:
InChI=1S/C17H12Br2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H
InChI Key:
WOPPTRDHNGHVRF-UHFFFAOYSA-N
SMILES:
O=C(/C=C/c1ccc(cc1)Br)/C=C/c1ccc(cc1)Br
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.923g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.09g/mol
Monoisotopic Mass:
389.925g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.5
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