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

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

CAS No.:
52156-51-1
Catalog Number:
AG01AH43
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
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Product Description
Catalog Number:
AG01AH43
Chemical Name:
5-benzyl-3-(chloromethyl)-1,2,4-oxadiazole
CAS Number:
52156-51-1
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD10691169
IUPAC Name:
5-benzyl-3-(chloromethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C10H9ClN2O/c11-7-9-12-10(14-13-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
XECLIXXHUYTYJD-UHFFFAOYSA-N
SMILES:
ClCc1noc(n1)Cc1ccccc1
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties