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30955-94-3 | Ethanone, 1-(5-iodo-2-thienyl)-
CAS No: 30955-94-3 Catalog No: AG0031R5 MDL No:MFCD02093967
Product Description
Catalog Number:
AG0031R5
Chemical Name:
Ethanone, 1-(5-iodo-2-thienyl)-
CAS Number:
30955-94-3
Molecular Formula:
C6H5IOS
Molecular Weight:
252.0728
MDL Number:
MFCD02093967
IUPAC Name:
1-(5-iodothiophen-2-yl)ethanone
InChI:
InChI=1S/C6H5IOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChI Key:
XBUCSKKBSJSRLJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(s1)I
NSC Number:
80387
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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