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

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

CAS No.:
854137-69-2
Catalog Number:
AG00IDNP
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
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Product Description
Catalog Number:
AG00IDNP
Chemical Name:
5-(chloromethyl)-3-(4-ethylphenyl)-1,2,4-oxadiazole
CAS Number:
854137-69-2
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
MDL Number:
MFCD07312769
IUPAC Name:
5-(chloromethyl)-3-(4-ethylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C11H11ClN2O/c1-2-8-3-5-9(6-4-8)11-13-10(7-12)15-14-11/h3-6H,2,7H2,1H3
InChI Key:
MVARJWYCLXBPBU-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1noc(n1)CCl
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.672g/mol
Monoisotopic Mass:
222.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties