2,1,3-Benzoxadiazole-4-carboxaldehyde


Chemical Name: 2,1,3-Benzoxadiazole-4-carboxaldehyde
CAS Number: 32863-32-4
Product Number: AG003KSI(AGN-PC-0N209P)
Synonyms:
MDL No: MFCD07772900
Molecular Formula: C7H4N2O2
Molecular Weight: 148.1189

Identification/Properties


Properties
MP:
100-102°C
BP:
277.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
148.121g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
148.027g/mol
Monoisotopic Mass:
148.027g/mol
Topological Polar Surface Area:
56A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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