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

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

CAS No.:
33575-82-5
Catalog Number:
AG00CR9U
Molecular Formula:
C9H6Cl2N2O
Molecular Weight:
229.0627
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Product Description
Catalog Number:
AG00CR9U
Chemical Name:
2-(chloromethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CAS Number:
33575-82-5
Molecular Formula:
C9H6Cl2N2O
Molecular Weight:
229.0627
MDL Number:
MFCD09041698
IUPAC Name:
2-(chloromethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C9H6Cl2N2O/c10-5-8-12-13-9(14-8)6-2-1-3-7(11)4-6/h1-4H,5H2
InChI Key:
IHBKPWZCCJKKLS-UHFFFAOYSA-N
SMILES:
ClCc1nnc(o1)c1cccc(c1)Cl
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.06g/mol
Monoisotopic Mass:
227.986g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties