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Pleconaril

CAS No.:
153168-05-9
Catalog Number:
AG003TTE
Molecular Formula:
C18H18F3N3O3
Molecular Weight:
381.3490
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$190
- +
10mg
99%
1 week
United States
$257
- +
50mg
99%
1 week
United States
$807
- +
100mg
99%
1 week
United States
$1057
- +
200mg
99%
1 week
United States
$1390
- +
Product Description
Catalog Number:
AG003TTE
Chemical Name:
Pleconaril
CAS Number:
153168-05-9
Molecular Formula:
C18H18F3N3O3
Molecular Weight:
381.3490
MDL Number:
MFCD00923611
IUPAC Name:
3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3
InChI Key:
KQOXLKOJHVFTRN-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CCCOc1c(C)cc(cc1C)c1noc(n1)C(F)(F)F
UNII:
9H4570Q89D
Properties
Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.13g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.355g/mol
Monoisotopic Mass:
381.13g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
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Properties