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13858-07-6 | 3-Phenyl-4-iodosydnone
CAS No: 13858-07-6 Catalog No: AG009W4Z MDL No:
Product Description
Catalog Number:
AG009W4Z
Chemical Name:
3-Phenyl-4-iodosydnone
CAS Number:
13858-07-6
IUPAC Name:
4-iodo-3-phenyloxadiazol-3-ium-5-olate
InChI:
InChI=1S/C8H5IN2O2/c9-7-8(12)13-10-11(7)6-4-2-1-3-5-6/h1-5H
InChI Key:
XMMFDMXGNNSLGS-UHFFFAOYSA-N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.044g/mol
Monoisotopic Mass:
287.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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