Benzoic acid, 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-


Chemical Name: Benzoic acid, 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-
CAS Number: 769132-76-5
Product Number: AG003K5A(AGN-PC-04H7O6)
Synonyms:
MDL No: MFCD08060967
Molecular Formula: C11H10N2O3
Molecular Weight: 218.2087

Identification/Properties


Properties
BP:
411°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
218.212g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
218.069g/mol
Monoisotopic Mass:
218.069g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
252
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-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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