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79780-07-7 | Phenyl 2-iodobenzoate
CAS No: 79780-07-7 Catalog No: AG005HDG MDL No:
Product Description
Catalog Number:
AG005HDG
Chemical Name:
Phenyl 2-iodobenzoate
CAS Number:
79780-07-7
Molecular Formula:
C13H9IO2
Molecular Weight:
324.1138
IUPAC Name:
phenyl 2-iodobenzoate
InChI:
InChI=1S/C13H9IO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H
InChI Key:
HUXVVBQIQZPBNL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)Oc1ccccc1
Properties
Complexity:
236
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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