2-methyl-6-nitro-1,3-benzoxazole


Chemical Name: 2-methyl-6-nitro-1,3-benzoxazole
CAS Number: 5683-43-2
Product Number: AG00EAD0(AGN-PC-0JLS8D)
Synonyms:
MDL No:
Molecular Formula: C8H6N2O3
Molecular Weight: 178.1448

Identification/Properties


Properties
MP:
157-158 °C
BP:
303.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
178.147g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
178.038g/mol
Monoisotopic Mass:
178.038g/mol
Topological Polar Surface Area:
71.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
216
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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