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

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

CAS No.:
69768-56-5
Catalog Number:
AG019PSB
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
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Product Description
Catalog Number:
AG019PSB
Chemical Name:
3-benzyl-5-(1-chloroethyl)-1,2,4-oxadiazole
CAS Number:
69768-56-5
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
MDL Number:
MFCD10689745
IUPAC Name:
3-benzyl-5-(1-chloroethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C11H11ClN2O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
IBXQJDXJNODHKZ-UHFFFAOYSA-N
SMILES:
CC(c1onc(n1)Cc1ccccc1)Cl
Properties
Complexity:
197  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties