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872090-23-8 | Pyridazine, 3,6-bis(5-bromo-3-dodecyl-2-thienyl)-
CAS No: 872090-23-8 Catalog No: AG004JEG MDL No:
Product Description
Catalog Number:
AG004JEG
Chemical Name:
Pyridazine, 3,6-bis(5-bromo-3-dodecyl-2-thienyl)-
CAS Number:
872090-23-8
Molecular Formula:
C36H54Br2N2S2
Molecular Weight:
738.7654
IUPAC Name:
3,6-bis(5-bromo-3-dodecylthiophen-2-yl)pyridazine
InChI:
InChI=1S/C36H54Br2N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-29-27-33(37)41-35(29)31-25-26-32(40-39-31)36-30(28-34(38)42-36)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
InChI Key:
OZKIUKDBTWLSFC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1cc(sc1c1ccc(nn1)c1sc(cc1CCCCCCCCCCCC)Br)Br
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
738.207g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
738.77g/mol
Monoisotopic Mass:
736.21g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.1
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