Home Halogens 2-(1-chloroethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

2-(1-chloroethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

CAS No.:
762241-01-0
Catalog Number:
AG01A1TR
Molecular Formula:
C5H4ClF3N2O
Molecular Weight:
200.5463
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Product Description
Catalog Number:
AG01A1TR
Chemical Name:
2-(1-chloroethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CAS Number:
762241-01-0
Molecular Formula:
C5H4ClF3N2O
Molecular Weight:
200.5463
MDL Number:
MFCD22565949
IUPAC Name:
2-(1-chloroethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C5H4ClF3N2O/c1-2(6)3-10-11-4(12-3)5(7,8)9/h2H,1H3
InChI Key:
WSULFVXKZINGRT-UHFFFAOYSA-N
SMILES:
CC(c1nnc(o1)C(F)(F)F)Cl
Properties
Complexity:
165  
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:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties