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60770-68-5 | 5-Iodo-2-methylbenzofuran
CAS No: 60770-68-5 Catalog No: AG00EDA4 MDL No:MFCD01319016
Product Description
Catalog Number:
AG00EDA4
Chemical Name:
5-Iodo-2-methylbenzofuran
CAS Number:
60770-68-5
Molecular Formula:
C9H7IO
Molecular Weight:
258.0557
MDL Number:
MFCD01319016
IUPAC Name:
5-iodo-2-methyl-1-benzofuran
InChI:
InChI=1S/C9H7IO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H3
InChI Key:
RUKAGZXVAJDQAD-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)cc(o2)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.058g/mol
Monoisotopic Mass:
257.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 5-Iodo-2,7-dimethyl-3-phenyl-sulfinyl-1-benzofuran. | Acta crystallographica. Section E, Structure reports online 20080201 |
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