2,1,3-Benzoxadiazol-4-amine, 7-nitro-N-(phenylmethyl)-


Chemical Name: 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N-(phenylmethyl)-
CAS Number: 18378-20-6
Product Number: AG003NDB(AGN-PC-0JLWWR)
Synonyms:
MDL No:
Molecular Formula: C13H10N4O3
Molecular Weight: 270.2435

Identification/Properties


Properties
MP:
206-209 °C
BP:
468°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.6120 (estimate)
Computed Properties
Molecular Weight:
270.248g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
270.075g/mol
Monoisotopic Mass:
270.075g/mol
Topological Polar Surface Area:
96.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
343
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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