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133144-89-5 | 1,2,4-Oxadiazole, 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-
CAS No: 133144-89-5 Catalog No: AG0014C8 MDL No:
Product Description
Catalog Number:
AG0014C8
Chemical Name:
1,2,4-Oxadiazole, 3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-
CAS Number:
133144-89-5
Molecular Formula:
C10H6ClF3N2O
Molecular Weight:
262.6156
IUPAC Name:
3-(chloromethyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C10H6ClF3N2O/c11-5-8-15-9(17-16-8)6-3-1-2-4-7(6)10(12,13)14/h1-4H,5H2
InChI Key:
GIQDUNZXUKYGEP-UHFFFAOYSA-N
SMILES:
ClCc1noc(n1)c1ccccc1C(F)(F)F
Properties
Complexity:
264
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
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