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20143-57-1 | 3(2H)-Benzofuranone, 7-iodo-
CAS No: 20143-57-1 Catalog No: AG002DEQ MDL No:
Product Description
Catalog Number:
AG002DEQ
Chemical Name:
3(2H)-Benzofuranone, 7-iodo-
CAS Number:
20143-57-1
Molecular Formula:
C8H5IO2
Molecular Weight:
260.0286
IUPAC Name:
7-iodo-1-benzofuran-3-one
InChI:
InChI=1S/C8H5IO2/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3H,4H2
InChI Key:
YHVGJABRPNYHGU-UHFFFAOYSA-N
SMILES:
O=C1COc2c1cccc2I
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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