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Home > Bromides > 1226782-13-3
1226782-13-3 | Benzo[1,2-b:4,5-b']dithiophene, 2,6-dibromo-4,8-bis[(2-ethylhexyl)oxy]-
CAS No: 1226782-13-3 Catalog No: AG0017MF MDL No:MFCD17018552
Product Description
Catalog Number:
AG0017MF
Chemical Name:
Benzo[1,2-b:4,5-b']dithiophene, 2,6-dibromo-4,8-bis[(2-ethylhexyl)oxy]-
CAS Number:
1226782-13-3
Molecular Formula:
C26H36Br2O2S2
Molecular Weight:
604.5008
MDL Number:
MFCD17018552
IUPAC Name:
2,6-dibromo-4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiole
InChI:
InChI=1S/C26H36Br2O2S2/c1-5-9-11-17(7-3)15-29-23-19-13-21(27)32-26(19)24(20-14-22(28)31-25(20)23)30-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3
InChI Key:
HMHJSVWOWIHEIP-UHFFFAOYSA-N
SMILES:
CCCCC(COc1c2sc(cc2c(c2c1cc(s2)Br)OCC(CCCC)CC)Br)CC
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
604.05g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
604.5g/mol
Monoisotopic Mass:
602.052g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
12.2
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