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

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

CAS No.:
1249397-70-3
Catalog Number:
AG019S3C
Molecular Formula:
C5H4ClF3N2O
Molecular Weight:
200.5463
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Product Description
Catalog Number:
AG019S3C
Chemical Name:
5-(chloromethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CAS Number:
1249397-70-3
Molecular Formula:
C5H4ClF3N2O
Molecular Weight:
200.5463
MDL Number:
MFCD14656903
IUPAC Name:
5-(chloromethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C5H4ClF3N2O/c6-2-4-10-3(11-12-4)1-5(7,8)9/h1-2H2
InChI Key:
MXDUEINIDPAOHK-UHFFFAOYSA-N
SMILES:
ClCc1onc(n1)CC(F)(F)F
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.996g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.545g/mol
Monoisotopic Mass:
199.996g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties