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

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

CAS No.:
1247725-97-8
Catalog Number:
AG01AKSI
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
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Product Description
Catalog Number:
AG01AKSI
Chemical Name:
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CAS Number:
1247725-97-8
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
MDL Number:
MFCD14654387
IUPAC Name:
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C11H11ClN2O/c12-8-11-13-10(14-15-11)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
ATHDFTJXQLEORO-UHFFFAOYSA-N
SMILES:
ClCc1onc(n1)CCc1ccccc1
Properties
Complexity:
185  
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:
4  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties