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51294-40-7 | 5-Iodobenzo[c][1,2,5]oxadiazole
CAS No: 51294-40-7 Catalog No: AG00D9V1 MDL No:
Product Description
Catalog Number:
AG00D9V1
Chemical Name:
5-Iodobenzo[c][1,2,5]oxadiazole
CAS Number:
51294-40-7
IUPAC Name:
5-iodo-2,1,3-benzoxadiazole
InChI:
InChI=1S/C6H3IN2O/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChI Key:
JFMQEVNIDXHTSG-UHFFFAOYSA-N
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.929g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.007g/mol
Monoisotopic Mass:
245.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| 5-Iodobenzofurazan 1-oxide: polymorphs, pseudosymmetry and disorder. | Acta crystallographica. Section C, Crystal structure communications 20080401 |
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