Home Halogens 1,2,4-Oxadiazole, 3-(chloromethyl)-5-[4-(trifluoromethyl)phenyl]-

1,2,4-Oxadiazole, 3-(chloromethyl)-5-[4-(trifluoromethyl)phenyl]-

CAS No.:
175205-84-2
Catalog Number:
AG0020PJ
Molecular Formula:
C10H6ClF3N2O
Molecular Weight:
262.6156
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Product Description
Catalog Number:
AG0020PJ
Chemical Name:
1,2,4-Oxadiazole, 3-(chloromethyl)-5-[4-(trifluoromethyl)phenyl]-
CAS Number:
175205-84-2
Molecular Formula:
C10H6ClF3N2O
Molecular Weight:
262.6156
MDL Number:
MFCD00173952
IUPAC Name:
3-(chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C10H6ClF3N2O/c11-5-8-15-9(17-16-8)6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2
InChI Key:
IOVWIIJODVBCRC-UHFFFAOYSA-N
SMILES:
ClCc1noc(n1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.012g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.616g/mol
Monoisotopic Mass:
262.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties