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36748-88-6 | 3-IODO-BENZO[B]THIOHENE
CAS No: 36748-88-6 Catalog No: AG00C7J3 MDL No:MFCD00176396
Product Description
Catalog Number:
AG00C7J3
Chemical Name:
3-IODO-BENZO[B]THIOHENE
CAS Number:
36748-88-6
Molecular Formula:
C8H5IS
Molecular Weight:
260.0948
MDL Number:
MFCD00176396
IUPAC Name:
3-iodo-1-benzothiophene
InChI:
InChI=1S/C8H5IS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChI Key:
XTYKQNXIPVCRJE-UHFFFAOYSA-N
SMILES:
Ic1csc2c1cccc2
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
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