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1488-42-2 | Iodonium, (2-carboxyphenyl)phenyl-, inner salt
CAS No: 1488-42-2 Catalog No: AG001L8A MDL No:MFCD00150328
Product Description
Catalog Number:
AG001L8A
Chemical Name:
Iodonium, (2-carboxyphenyl)phenyl-, inner salt
CAS Number:
1488-42-2
Molecular Formula:
C13H11IO3
Molecular Weight:
342.1291
MDL Number:
MFCD00150328
IUPAC Name:
2-phenyliodoniobenzoate
InChI:
InChI=1S/C13H9IO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
InChI Key:
LUGVQQXOGHCZNN-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1ccccc1[I+]c1ccccc1.O
EC Number:
216-070-2
NSC Number:
86229
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.965g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.117g/mol
Monoisotopic Mass:
323.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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