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872090-22-7 | Pyridazine, 3,6-bis(5-bromo-3-decyl-2-thienyl)-
CAS No: 872090-22-7 Catalog No: AG004N27 MDL No:
Product Description
Catalog Number:
AG004N27
Chemical Name:
Pyridazine, 3,6-bis(5-bromo-3-decyl-2-thienyl)-
CAS Number:
872090-22-7
Molecular Formula:
C32H46Br2N2S2
Molecular Weight:
682.6590
IUPAC Name:
3,6-bis(5-bromo-3-decylthiophen-2-yl)pyridazine
InChI:
InChI=1S/C32H46Br2N2S2/c1-3-5-7-9-11-13-15-17-19-25-23-29(33)37-31(25)27-21-22-28(36-35-27)32-26(24-30(34)38-32)20-18-16-14-12-10-8-6-4-2/h21-24H,3-20H2,1-2H3
InChI Key:
XZPPWBDNRHYJQG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1cc(sc1c1ccc(nn1)c1sc(cc1CCCCCCCCCC)Br)Br
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
682.145g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
682.662g/mol
Monoisotopic Mass:
680.147g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.9
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