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139625-61-9 | Benzo[b]thiophene, 3-iodo-2-methyl-
CAS No: 139625-61-9 Catalog No: AG001BF3 MDL No:
Product Description
Catalog Number:
AG001BF3
Chemical Name:
Benzo[b]thiophene, 3-iodo-2-methyl-
CAS Number:
139625-61-9
Molecular Formula:
C9H7IS
Molecular Weight:
274.1213
IUPAC Name:
3-iodo-2-methyl-1-benzothiophene
InChI:
InChI=1S/C9H7IS/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5H,1H3
InChI Key:
YESXTXYKQGWOLD-UHFFFAOYSA-N
SMILES:
Ic1c(C)sc2c1cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.931g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.119g/mol
Monoisotopic Mass:
273.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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