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3-chloro-6'-phenoxy-5-(trifluoromethyl)-[2,3'-bipyridine]-5'-carbonitrile

3-chloro-6'-phenoxy-5-(trifluoromethyl)-[2,3'-bipyridine]-5'-carbonitrile

CAS: 339011-81-3

Formula: C18H9ClF3N3O

SMILES: FC(F)(F)C1=CC(Cl)=C(N=C1)C1=CN=C(OC2=CC=CC=C2)C(=C1)C#N

IUPAC: 3-chloro-6'-phenoxy-5-(trifluoromethyl)-[2,3'-bipyridine]-5'-carbonitrile

InChI: InChI=1S/C18H9ClF3N3O/c19-15-7-13(18(20,21)22)10-24-16(15)12-6-11(8-23)17(25-9-12)26-14-4-2-1-3-5-14/h1-7,9-10H

Composition: C (57.54%), H (2.41%), Cl (9.43%), F (15.17%), N (11.18%), O (4.26%)

Molar Mass: 375.74

Atom Count: 35

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 375.0386241
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZGWDIKBKUCAGRV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 89.56
Topological Polar Surface Area 58.8
Polarizability 34.57
Ring Count 3
Rotatable Bond Count 4

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