4,8-BIS(2-ETHYLHEXYLOXY) BENZO[1,2-B:4,5-B']DITHIOPHENE


Chemical Name: 4,8-BIS(2-ETHYLHEXYLOXY) BENZO[1,2-B:4,5-B']DITHIOPHENE
CAS Number: 1160823-77-7
Product Number: AG000BKK(AGN-PC-09TQG1)
Synonyms:
MDL No:
Molecular Formula: C26H38O2S2
Molecular Weight: 446.7087

Identification/Properties


Computed Properties
Molecular Weight:
446.708g/mol
XLogP3:
10.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
14
Exact Mass:
446.231g/mol
Monoisotopic Mass:
446.231g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
432
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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