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36748-89-7 | 2-IODO-BENZO[B]THIOPHENE
CAS No: 36748-89-7 Catalog No: AG00C7IQ MDL No:MFCD08706229
Product Description
Catalog Number:
AG00C7IQ
Chemical Name:
2-IODO-BENZO[B]THIOPHENE
CAS Number:
36748-89-7
Molecular Formula:
C8H5IS
Molecular Weight:
260.0948
MDL Number:
MFCD08706229
IUPAC Name:
2-iodo-1-benzothiophene
InChI:
InChI=1S/C8H5IS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChI Key:
XNCFWDHWACGQBN-UHFFFAOYSA-N
SMILES:
Ic1cc2c(s1)cccc2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.916g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.092g/mol
Monoisotopic Mass:
259.916g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of benzo[b]thiophene derivatives as inhibitors of alkaline phosphatases. | Bioorganic & medicinal chemistry 20091015 |
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