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696-33-3 | Benzene, iodyl-
CAS No: 696-33-3 Catalog No: AG0069JY MDL No:
Product Description
Catalog Number:
AG0069JY
Chemical Name:
Benzene, iodyl-
CAS Number:
696-33-3
Molecular Formula:
C6H5IO2
Molecular Weight:
236.0072
IUPAC Name:
iodylbenzene
InChI:
InChI=1S/C6H5IO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChI Key:
BDOLQESNFGCNSC-UHFFFAOYSA-N
SMILES:
O=[I](=O)c1ccccc1
NSC Number:
60684
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.933g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.008g/mol
Monoisotopic Mass:
235.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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