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874179-74-5 | 2,2':5',2''-Terthiophene, 3'-[2-[(10-bromodecyl)oxy]ethyl]-
CAS No: 874179-74-5 Catalog No: AG004GEA MDL No:
Product Description
Catalog Number:
AG004GEA
Chemical Name:
2,2':5',2''-Terthiophene, 3'-[2-[(10-bromodecyl)oxy]ethyl]-
CAS Number:
874179-74-5
Molecular Formula:
C24H31BrOS3
Molecular Weight:
511.6013
IUPAC Name:
3-[2-(10-bromodecoxy)ethyl]-2,5-dithiophen-2-ylthiophene
InChI:
InChI=1S/C24H31BrOS3/c25-14-7-5-3-1-2-4-6-8-15-26-16-13-20-19-23(21-11-9-17-27-21)29-24(20)22-12-10-18-28-22/h9-12,17-19H,1-8,13-16H2
InChI Key:
ITLXZBFYQVLVCG-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCOCCc1cc(sc1c1cccs1)c1cccs1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.072g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
511.595g/mol
Monoisotopic Mass:
510.072g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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