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53910-10-4 | 6-IODO-3 H-ISOBENZOFURAN-1-ONE
CAS No: 53910-10-4 Catalog No: AG00DAJ5 MDL No:MFCD06739592
Product Description
Catalog Number:
AG00DAJ5
Chemical Name:
6-IODO-3 H-ISOBENZOFURAN-1-ONE
CAS Number:
53910-10-4
Molecular Formula:
C8H5IO2
Molecular Weight:
260.0286
MDL Number:
MFCD06739592
IUPAC Name:
6-iodo-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H5IO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
InChI Key:
GDWUNKJJSAKJSC-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)C(=O)OC2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.03g/mol
Monoisotopic Mass:
259.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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