5-BROMO-3-METHYL-1,2,4-OXADIAZOLE


Chemical Name: 5-BROMO-3-METHYL-1,2,4-OXADIAZOLE
CAS Number: 960053-90-1
Product Number: AG00J27S(AGN-PC-0WAK6R)
Synonyms:
MDL No:
Molecular Formula: C3H3BrN2O
Molecular Weight: 162.9727

Identification/Properties


Computed Properties
Molecular Weight:
162.974g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
161.943g/mol
Monoisotopic Mass:
161.943g/mol
Topological Polar Surface Area:
38.9A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
70
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

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NMR Spectrum


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