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

2-(chloromethyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole

CAS No.:
796106-49-5
Catalog Number:
AG00ID28
Molecular Formula:
C9H9ClN2O2
Molecular Weight:
212.6330
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Product Description
Catalog Number:
AG00ID28
Chemical Name:
2-(chloromethyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CAS Number:
796106-49-5
Molecular Formula:
C9H9ClN2O2
Molecular Weight:
212.6330
MDL Number:
MFCD06372760
IUPAC Name:
2-(chloromethyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C9H9ClN2O2/c1-5-3-7(6(2)13-5)9-12-11-8(4-10)14-9/h3H,4H2,1-2H3
InChI Key:
FABWAGDIYMEXOV-UHFFFAOYSA-N
SMILES:
ClCc1nnc(o1)c1cc(oc1C)C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.633g/mol
Monoisotopic Mass:
212.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties