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19164-42-2 | 2,1,3-BENZOXADIAZOLE-5-CARBALDEHYDE 1-OXIDE
CAS No: 19164-42-2 Catalog No: AG00AUW4 MDL No:MFCD00955927
Product Description
Catalog Number:
AG00AUW4
Chemical Name:
2,1,3-BENZOXADIAZOLE-5-CARBALDEHYDE 1-OXIDE
CAS Number:
19164-42-2
MDL Number:
MFCD00955927
IUPAC Name:
1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbaldehyde
InChI:
InChI=1S/C7H4N2O3/c10-4-5-1-2-7-6(3-5)8-12-9(7)11/h1-4H
InChI Key:
XOGHVCWQRORUFN-UHFFFAOYSA-N
NSC Number:
368686
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Second generation of 5-ethenylbenzofuroxan derivatives as inhibitors of Trypanosoma cruzi growth: synthesis, biological evaluation, and structure-activity relationships. | Bioorganic & medicinal chemistry 20070401 |
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