Home Halogens 1,2,4-Oxadiazole,3-(chloromethyl)-5-(4-methoxyphenyl)-

1,2,4-Oxadiazole,3-(chloromethyl)-5-(4-methoxyphenyl)-

CAS No.:
73217-31-9
Catalog Number:
AG0062RS
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
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Product Description
Catalog Number:
AG0062RS
Chemical Name:
1,2,4-Oxadiazole,3-(chloromethyl)-5-(4-methoxyphenyl)-
CAS Number:
73217-31-9
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD00084967
IUPAC Name:
3-(chloromethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C10H9ClN2O2/c1-14-8-4-2-7(3-5-8)10-12-9(6-11)13-15-10/h2-5H,6H2,1H3
InChI Key:
LSYCZBSPYWGGHC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1onc(n1)CCl
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties