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

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

CAS No.:
91066-38-5
Catalog Number:
AG01A055
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
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Product Description
Catalog Number:
AG01A055
Chemical Name:
5-(1-chloroethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CAS Number:
91066-38-5
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
MDL Number:
MFCD12189041
IUPAC Name:
5-(1-chloroethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C11H11ClN2O2/c1-7(12)11-13-10(14-16-11)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3
InChI Key:
KLXXFYYQCQGACJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(n1)C(Cl)C
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.671g/mol
Monoisotopic Mass:
238.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties