3-fluoranyl-4-methyl-aniline; 2-methylbutanoic acid

Systemtic Name: 3-fluoranyl-4-methyl-aniline; 2-methylbutanoic acid Openeye Name: 3-fluoro-4-methyl-aniline; 2-methylbutanoic acid CAS Name: 3-fluoro-4-methylaniline; 2-methylbutanoic acid IUPAC Name: 3-fluoro-4-methylaniline; 2-methylbutanoic acid Traditional Name: (3-fluoro-4-methyl-phenyl)amine; 2-methylbutyric acid Formula: C12H18FNO2 MolecularWeight: 227.275223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)O.CC1=C(C=C(C=C1)N)F

Isomeric SMILES

CCC(C)C(=O)O.CC1=C(C=C(C=C1)N)F

InChI

InChI=1S/C7H8FN.C5H10O2/c1-5-2-3-6(9)4-7(5)8;1-3-4(2)5(6)7/h2-4H,9H2,1H3;4H,3H2,1-2H3,(H,6,7)