2,1,3-Benzoxadiazole, 4-methyl-


Chemical Name: 2,1,3-Benzoxadiazole, 4-methyl-
CAS Number: 29091-40-5
Product Number: AG002XAU(AGN-PC-0JTAPX)
Synonyms:
MDL No: MFCD00100600
Molecular Formula: C7H6N2O
Molecular Weight: 134.1353

Identification/Properties


Properties
MP:
40°C
BP:
209.2±33.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
134.138g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
134.048g/mol
Monoisotopic Mass:
134.048g/mol
Topological Polar Surface Area:
38.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
129
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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