Home Halogens 1,2,4-Oxadiazole, 3-(chloromethyl)-5-(4-fluorophenyl)-

1,2,4-Oxadiazole, 3-(chloromethyl)-5-(4-fluorophenyl)-

CAS No.:
166179-37-9
Catalog Number:
AG001WJA
Molecular Formula:
C9H6ClFN2O
Molecular Weight:
212.6081
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Product Description
Catalog Number:
AG001WJA
Chemical Name:
1,2,4-Oxadiazole, 3-(chloromethyl)-5-(4-fluorophenyl)-
CAS Number:
166179-37-9
Molecular Formula:
C9H6ClFN2O
Molecular Weight:
212.6081
MDL Number:
MFCD07838531
IUPAC Name:
3-(chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C9H6ClFN2O/c10-5-8-12-9(14-13-8)6-1-3-7(11)4-2-6/h1-4H,5H2
InChI Key:
REASHIJFDMZTQP-UHFFFAOYSA-N
SMILES:
ClCc1noc(n1)c1ccc(cc1)F
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.608g/mol
Monoisotopic Mass:
212.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties