2,1,3-Benzoxadiazole-5-carboxylic acid


Chemical Name: 2,1,3-Benzoxadiazole-5-carboxylic acid
CAS Number: 19155-88-5
Product Number: AG002FBU(AGN-PC-0KK73Z)
Synonyms:
MDL No:
Molecular Formula: C7H4N2O3
Molecular Weight: 164.1183

Identification/Properties


Properties
MP:
157-160 °C(lit.)
BP:
360°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
164.12g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
164.022g/mol
Monoisotopic Mass:
164.022g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
197
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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