Home Halogens 5-(bromomethyl)-3-methyl-1,2,4-oxadiazole

5-(bromomethyl)-3-methyl-1,2,4-oxadiazole

CAS No.:
875644-71-6
Catalog Number:
AG00H3VN
Molecular Formula:
C4H5BrN2O
Molecular Weight:
176.9993
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Product Description
Catalog Number:
AG00H3VN
Chemical Name:
5-(bromomethyl)-3-methyl-1,2,4-oxadiazole
CAS Number:
875644-71-6
Molecular Formula:
C4H5BrN2O
Molecular Weight:
176.9993
MDL Number:
MFCD20485097
IUPAC Name:
5-(bromomethyl)-3-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C4H5BrN2O/c1-3-6-4(2-5)8-7-3/h2H2,1H3
InChI Key:
FGBNCTRUUSJCIS-UHFFFAOYSA-N
SMILES:
Cc1nc(on1)CBr
Properties
Complexity:
80.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.959g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.001g/mol
Monoisotopic Mass:
175.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties