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60770-51-6 | 5-Iodo-3(2H)-benzofuranone
CAS No: 60770-51-6 Catalog No: AG00EAXO MDL No:MFCD12187642
Product Description
Catalog Number:
AG00EAXO
Chemical Name:
5-Iodo-3(2H)-benzofuranone
CAS Number:
60770-51-6
Molecular Formula:
C8H5IO2
Molecular Weight:
260.0286
MDL Number:
MFCD12187642
IUPAC Name:
5-iodo-1-benzofuran-3-one
InChI:
InChI=1S/C8H5IO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4H2
InChI Key:
JEHKHXISMMCMEU-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)C(=O)CO2
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:
2.1
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