Home Halogens 5-(chloromethyl)-3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazole

5-(chloromethyl)-3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazole

CAS No.:
1354949-51-1
Catalog Number:
AG019T5U
Molecular Formula:
C9H15ClN2O2
Molecular Weight:
218.6806
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Product Description
Catalog Number:
AG019T5U
Chemical Name:
5-(chloromethyl)-3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazole
CAS Number:
1354949-51-1
Molecular Formula:
C9H15ClN2O2
Molecular Weight:
218.6806
MDL Number:
MFCD20731223
IUPAC Name:
5-(chloromethyl)-3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C9H15ClN2O2/c1-6(2)5-13-7(3)9-11-8(4-10)14-12-9/h6-7H,4-5H2,1-3H3
InChI Key:
YYMSMGUSGDGKRX-UHFFFAOYSA-N
SMILES:
ClCc1onc(n1)C(OCC(C)C)C
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.681g/mol
Monoisotopic Mass:
218.082g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties