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871463-56-8 | 2,1,3-Benzoxadiazole, 5-(iodomethyl)-, 1-oxide
CAS No: 871463-56-8 Catalog No: AG004OET MDL No:
Product Description
Catalog Number:
AG004OET
Chemical Name:
2,1,3-Benzoxadiazole, 5-(iodomethyl)-, 1-oxide
CAS Number:
871463-56-8
Molecular Formula:
C7H5IN2O2
Molecular Weight:
276.0313
IUPAC Name:
5-(iodomethyl)-1-oxido-2,1,3-benzoxadiazol-1-ium
InChI:
InChI=1S/C7H5IN2O2/c8-4-5-1-2-7-6(3-5)9-12-10(7)11/h1-3H,4H2
InChI Key:
PMEIALWGEJGFCX-UHFFFAOYSA-N
SMILES:
ICc1ccc2c(c1)no[n+]2[O-]
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.033g/mol
Monoisotopic Mass:
275.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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