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Home > Bromides > 1294515-75-5
1294515-75-5 | Benzo[1,2-b:4,5-b']dithiophene, 2,6-dibromo-4,8-bis(octyloxy)-
CAS No: 1294515-75-5 Catalog No: AG000Z4P MDL No:MFCD27923048
Product Description
Catalog Number:
AG000Z4P
Chemical Name:
Benzo[1,2-b:4,5-b']dithiophene, 2,6-dibromo-4,8-bis(octyloxy)-
CAS Number:
1294515-75-5
Molecular Formula:
C26H36Br2O2S2
Molecular Weight:
604.5008
MDL Number:
MFCD27923048
IUPAC Name:
2,6-dibromo-4,8-dioctoxythieno[2,3-f][1]benzothiole
InChI:
InChI=1S/C26H36Br2O2S2/c1-3-5-7-9-11-13-15-29-23-19-17-21(27)32-26(19)24(20-18-22(28)31-25(20)23)30-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChI Key:
GXGDTYKIKNMZTM-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1c2sc(cc2c(c2c1cc(s2)Br)OCCCCCCCC)Br
Properties
Complexity:
468
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:
16
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.8
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