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832732-82-8 | 1,3-Propanedione, 1,3-bis(5-bromo-4-hexyl-2-thienyl)-
CAS No: 832732-82-8 Catalog No: AG0056HH MDL No:
Product Description
Catalog Number:
AG0056HH
Chemical Name:
1,3-Propanedione, 1,3-bis(5-bromo-4-hexyl-2-thienyl)-
CAS Number:
832732-82-8
Molecular Formula:
C23H30Br2O2S2
Molecular Weight:
562.4211
IUPAC Name:
1,3-bis(5-bromo-4-hexylthiophen-2-yl)propane-1,3-dione
InChI:
InChI=1S/C23H30Br2O2S2/c1-3-5-7-9-11-16-13-20(28-22(16)24)18(26)15-19(27)21-14-17(23(25)29-21)12-10-8-6-4-2/h13-14H,3-12,15H2,1-2H3
InChI Key:
YAPKHZLIDRZJNH-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(sc1Br)C(=O)CC(=O)c1cc(c(s1)Br)CCCCCC
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
562.003g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
562.419g/mol
Monoisotopic Mass:
560.005g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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