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71225-00-8 | 1,6-Hexanedione,2,5-dibromo-1,6-diphenyl-
CAS No: 71225-00-8 Catalog No: AG005K90 MDL No:
Product Description
Catalog Number:
AG005K90
Chemical Name:
1,6-Hexanedione,2,5-dibromo-1,6-diphenyl-
CAS Number:
71225-00-8
Molecular Formula:
C18H16Br2O2
Molecular Weight:
424.1264
IUPAC Name:
2,5-dibromo-1,6-diphenylhexane-1,6-dione
InChI:
InChI=1S/C18H16Br2O2/c19-15(17(21)13-7-3-1-4-8-13)11-12-16(20)18(22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChI Key:
CYMCSOQEVOCQBZ-UHFFFAOYSA-N
SMILES:
BrC(C(=O)c1ccccc1)CCC(C(=O)c1ccccc1)Br
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.95g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.132g/mol
Monoisotopic Mass:
421.952g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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