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85137-69-5 | Benzene, 1,4-bis[2-(4-bromophenyl)ethenyl]-
CAS No: 85137-69-5 Catalog No: AG004QSM MDL No:
Product Description
Catalog Number:
AG004QSM
Chemical Name:
Benzene, 1,4-bis[2-(4-bromophenyl)ethenyl]-
CAS Number:
85137-69-5
Molecular Formula:
C22H16Br2
Molecular Weight:
440.1704
IUPAC Name:
1,4-bis[2-(4-bromophenyl)ethenyl]benzene
InChI:
InChI=1S/C22H16Br2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-16H
InChI Key:
BQWLFSFPVKOGNS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C=Cc1ccc(cc1)C=Cc1ccc(cc1)Br
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.96g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.178g/mol
Monoisotopic Mass:
437.962g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.8
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