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

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

CAS No.:
1541633-15-1
Catalog Number:
AG01C6D8
Molecular Formula:
C3H3BrN2O
Molecular Weight:
162.9727
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Product Description
Catalog Number:
AG01C6D8
Chemical Name:
5-(bromomethyl)-1,2,4-oxadiazole
CAS Number:
1541633-15-1
Molecular Formula:
C3H3BrN2O
Molecular Weight:
162.9727
MDL Number:
MFCD24071775
IUPAC Name:
5-(bromomethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C3H3BrN2O/c4-1-3-5-2-6-7-3/h2H,1H2
InChI Key:
AXYXGPOUYWXYSR-UHFFFAOYSA-N
SMILES:
BrCc1ncno1
Properties
Complexity:
60.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.943g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.974g/mol
Monoisotopic Mass:
161.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties