5-(hydroxymethyl)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 5-(hydroxymethyl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 5-(hydroxymethyl)-2-(trifluoromethyl)benzonitrile CAS Name: 5-(hydroxymethyl)-2-(trifluoromethyl)benzonitrile IUPAC Name: 5-(hydroxymethyl)-2-(trifluoromethyl)benzonitrile Traditional Name: 5-methylol-2-(trifluoromethyl)benzonitrile Formula: C9H6F3NO MolecularWeight: 201.14525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CO)C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1CO)C#N)C(F)(F)F

InChI

InChI=1S/C9H6F3NO/c10-9(11,12)8-2-1-6(5-14)3-7(8)4-13/h1-3,14H,5H2