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821787-20-6 | Benzo[b]thiophene, 3-(2-iodoethyl)-
CAS No: 821787-20-6 Catalog No: AG00578H MDL No:
Product Description
Catalog Number:
AG00578H
Chemical Name:
Benzo[b]thiophene, 3-(2-iodoethyl)-
CAS Number:
821787-20-6
Molecular Formula:
C10H9IS
Molecular Weight:
288.1479
IUPAC Name:
3-(2-iodoethyl)-1-benzothiophene
InChI:
InChI=1S/C10H9IS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2
InChI Key:
BSJACZAGTCMUOE-UHFFFAOYSA-N
SMILES:
ICCc1csc2c1cccc2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.146g/mol
Monoisotopic Mass:
287.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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