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210705-84-3 | Thiophene, 2-bromo-4-hexyl-
CAS No: 210705-84-3 Catalog No: AG002KX9 MDL No:MFCD18413571
Product Description
Catalog Number:
AG002KX9
Chemical Name:
Thiophene, 2-bromo-4-hexyl-
CAS Number:
210705-84-3
Molecular Formula:
C10H15BrS
Molecular Weight:
247.1951
MDL Number:
MFCD18413571
IUPAC Name:
2-bromo-4-hexylthiophene
InChI:
InChI=1S/C10H15BrS/c1-2-3-4-5-6-9-7-10(11)12-8-9/h7-8H,2-6H2,1H3
InChI Key:
IKXKKFNSZQNRFR-UHFFFAOYSA-N
SMILES:
CCCCCCc1csc(c1)Br
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.194g/mol
Monoisotopic Mass:
246.008g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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 |
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