4-chloranyl-2-fluoranyl-aniline; 2-methylbutanoic acid

Systemtic Name: 4-chloranyl-2-fluoranyl-aniline; 2-methylbutanoic acid Openeye Name: 4-chloro-2-fluoro-aniline; 2-methylbutanoic acid CAS Name: 4-chloro-2-fluoroaniline; 2-methylbutanoic acid IUPAC Name: 4-chloro-2-fluoroaniline; 2-methylbutanoic acid Traditional Name: (4-chloro-2-fluoro-phenyl)amine; 2-methylbutyric acid Formula: C11H15ClFNO2 MolecularWeight: 247.693703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)O.C1=CC(=C(C=C1Cl)F)N

Isomeric SMILES

CCC(C)C(=O)O.C1=CC(=C(C=C1Cl)F)N

InChI

InChI=1S/C6H5ClFN.C5H10O2/c7-4-1-2-6(9)5(8)3-4;1-3-4(2)5(6)7/h1-3H,9H2;4H,3H2,1-2H3,(H,6,7)