1,2,4-Oxadiazole, 3-[3-(bromomethyl)phenyl]-5-methyl-


Chemical Name: 1,2,4-Oxadiazole, 3-[3-(bromomethyl)phenyl]-5-methyl-
CAS Number: 253273-90-4
Product Number: AG00C3UY(AGN-PC-0LWGIP)
Synonyms:
MDL No:
Molecular Formula: C10H9BrN2O
Molecular Weight: 253.09526

Identification/Properties


Computed Properties
Molecular Weight:
253.099g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
251.99g/mol
Monoisotopic Mass:
251.99g/mol
Topological Polar Surface Area:
38.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
191
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:
Danger
UN#:
3261
Hazard Statements:
H302-H314-H318
Precautionary Statements:
P260-P264-P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P330-P363-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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