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160732-56-9 | 1,2-Benziodoxol-3(1H)-one, 1-azido-
CAS No: 160732-56-9 Catalog No: AG001V9X MDL No:
Product Description
Catalog Number:
AG001V9X
Chemical Name:
1,2-Benziodoxol-3(1H)-one, 1-azido-
CAS Number:
160732-56-9
Molecular Formula:
C7H4IN3O2
Molecular Weight:
289.0300
IUPAC Name:
(3-oxo-1λ5,2-benziodoxol-1-ylidyne)azaniumyliminoazanide
InChI:
InChI=1S/C7H4IN3O2/c9-11-10-8-6-4-2-1-3-5(6)7(12)13-8/h1-4H
InChI Key:
XRUIUFFBFTVHKT-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=N[I]1OC(=O)c2c1cccc2
NSC Number:
686326
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.032g/mol
Monoisotopic Mass:
288.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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