Home Halogens 5-(chloromethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole

5-(chloromethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole

CAS No.:
50737-31-0
Catalog Number:
AG019N14
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
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Product Description
Catalog Number:
AG019N14
Chemical Name:
5-(chloromethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CAS Number:
50737-31-0
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD09034175
IUPAC Name:
5-(chloromethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C10H9ClN2O/c1-7-3-2-4-8(5-7)10-12-9(6-11)14-13-10/h2-5H,6H2,1H3
InChI Key:
MWQGYNOPINNJNN-UHFFFAOYSA-N
SMILES:
ClCc1onc(n1)c1cccc(c1)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties