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89380-60-9 | 1-(3-Iodothiophen-2-yl)ethan-1-one
CAS No: 89380-60-9 Catalog No: AG003WMB MDL No:
Product Description
Catalog Number:
AG003WMB
Chemical Name:
1-(3-Iodothiophen-2-yl)ethan-1-one
CAS Number:
89380-60-9
Molecular Formula:
C6H5IOS
Molecular Weight:
252.0728
IUPAC Name:
1-(3-iodothiophen-2-yl)ethanone
InChI:
InChI=1S/C6H5IOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,1H3
InChI Key:
ZLAYWIOYHXDYKT-UHFFFAOYSA-N
SMILES:
CC(=O)c1sccc1I
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.911g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.069g/mol
Monoisotopic Mass:
251.911g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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