Home Halogens 3-bromo-5-(4-methoxyphenyl)-1,2,4-oxadiazole

3-bromo-5-(4-methoxyphenyl)-1,2,4-oxadiazole

CAS No.:
1566194-77-1
Catalog Number:
AG01BV8U
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
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Product Description
Catalog Number:
AG01BV8U
Chemical Name:
3-bromo-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CAS Number:
1566194-77-1
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD26043705
IUPAC Name:
3-bromo-5-(4-methoxyphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C9H7BrN2O2/c1-13-7-4-2-6(3-5-7)8-11-9(10)12-14-8/h2-5H,1H3
InChI Key:
UIGGTJQBVQADOR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1onc(n1)Br
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties