5-[2,3-bis(fluoranyl)-4-octyl-phenyl]-2-chloranyl-pyrimidine

Systemtic Name: 5-[2,3-bis(fluoranyl)-4-octyl-phenyl]-2-chloranyl-pyrimidine Openeye Name: 2-chloro-5-(2,3-difluoro-4-octyl-phenyl)pyrimidine CAS Name: 2-chloro-5-(2,3-difluoro-4-octylphenyl)pyrimidine IUPAC Name: 2-chloro-5-(2,3-difluoro-4-octylphenyl)pyrimidine Traditional Name: 2-chloro-5-(2,3-difluoro-4-octyl-phenyl)pyrimidine Formula: C18H21ClF2N2 MolecularWeight: 338.822546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C2=CN=C(N=C2)Cl)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C2=CN=C(N=C2)Cl)F)F

InChI

InChI=1S/C18H21ClF2N2/c1-2-3-4-5-6-7-8-13-9-10-15(17(21)16(13)20)14-11-22-18(19)23-12-14/h9-12H,2-8H2,1H3