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113736-20-2 | Thiophene, 3-hexyl-2,5-diiodo-
CAS No: 113736-20-2 Catalog No: AG0009HX MDL No:
Product Description
Catalog Number:
AG0009HX
Chemical Name:
Thiophene, 3-hexyl-2,5-diiodo-
CAS Number:
113736-20-2
Molecular Formula:
C10H14I2S
Molecular Weight:
420.0921
IUPAC Name:
3-hexyl-2,5-diiodothiophene
InChI:
InChI=1S/C10H14I2S/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h7H,2-6H2,1H3
InChI Key:
RSTAGBXOIVTHHT-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(sc1I)I
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.891g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.091g/mol
Monoisotopic Mass:
419.891g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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