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116971-11-0 | Thiophene, 2,5-dibromo-3-hexyl-
CAS No: 116971-11-0 Catalog No: AG000DFS MDL No:MFCD00274313
Product Description
Catalog Number:
AG000DFS
Chemical Name:
Thiophene, 2,5-dibromo-3-hexyl-
CAS Number:
116971-11-0
Molecular Formula:
C10H14Br2S
Molecular Weight:
326.0912
MDL Number:
MFCD00274313
IUPAC Name:
2,5-dibromo-3-hexylthiophene
InChI:
InChI=1S/C10H14Br2S/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h7H,2-6H2,1H3
InChI Key:
NSYFIAVPXHGRSH-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(sc1Br)Br
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.916g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.09g/mol
Monoisotopic Mass:
323.918g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| A case report of acute dermatitis that developed during an experiment examining the bromination of 3-hexylthiophene. | Journal of occupational medicine and toxicology (London, England) 20100101 |
| Poly[(3-hexylthiophene)-block-(3-semifluoroalkylthiophene)] for polymer solar cells. | International journal of molecular sciences 20100101 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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