Benzoxazole, 2-methyl-5-nitro-


Chemical Name: Benzoxazole, 2-methyl-5-nitro-
CAS Number: 32046-51-8
Product Number: AG00BZIE(AGN-PC-0JVOX9)
Synonyms:
MDL No: MFCD00466748
Molecular Formula: C8H6N2O3
Molecular Weight: 178.1448

Identification/Properties


Properties
MP:
156-158°C
BP:
303.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
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#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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