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153938-80-8 | Thiophene, 2-iodo-3-octyl-
CAS No: 153938-80-8 Catalog No: AG007HHN MDL No:
Product Description
Catalog Number:
AG007HHN
Chemical Name:
Thiophene, 2-iodo-3-octyl-
CAS Number:
153938-80-8
Molecular Formula:
C12H19IS
Molecular Weight:
322.2487
IUPAC Name:
2-iodo-3-octylthiophene
InChI:
InChI=1S/C12H19IS/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h9-10H,2-8H2,1H3
InChI Key:
FIGUWGHYSXYKCK-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccsc1I
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.248g/mol
Monoisotopic Mass:
322.025g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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