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28418-88-4 | 4-Iodoisobenzofuran-1,3-dione
CAS No: 28418-88-4 Catalog No: AG007KLV MDL No:MFCD08458692
Product Description
Catalog Number:
AG007KLV
Chemical Name:
4-Iodoisobenzofuran-1,3-dione
CAS Number:
28418-88-4
Molecular Formula:
C8H3IO3
Molecular Weight:
274.0121
MDL Number:
MFCD08458692
IUPAC Name:
4-iodo-2-benzofuran-1,3-dione
InChI:
InChI=1S/C8H3IO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
InChI Key:
SKHCDRLTAOLKHQ-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1c(I)ccc2
NSC Number:
135150
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.913g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.013g/mol
Monoisotopic Mass:
273.913g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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