2-[3,5-bis(trifluoromethyl)phenyl]-6-(chloromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(chloromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(chloromethyl)-1H-pyrimidin-4-one CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(chloromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(chloromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(chloromethyl)-1H-pyrimidin-4-one Formula: C13H7ClF6N2O MolecularWeight: 356.650899

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NC(=O)C=C(N2)CCl

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NC(=O)C=C(N2)CCl

InChI

InChI=1S/C13H7ClF6N2O/c14-5-9-4-10(23)22-11(21-9)6-1-7(12(15,16)17)3-8(2-6)13(18,19)20/h1-4H,5H2,(H,21,22,23)