3,4-bis(fluoranyl)-5-methyl-benzoic acid

Systemtic Name: 3,4-bis(fluoranyl)-5-methyl-benzoic acid Openeye Name: 3,4-difluoro-5-methyl-benzoic acid CAS Name: 3,4-difluoro-5-methylbenzoic acid IUPAC Name: 3,4-difluoro-5-methylbenzoic acid Traditional Name: 3,4-difluoro-5-methyl-benzoic acid Formula: C8H6F2O2 MolecularWeight: 172.128846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)F)F

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)F)F

InChI

InChI=1S/C8H6F2O2/c1-4-2-5(8(11)12)3-6(9)7(4)10/h2-3H,1H3,(H,11,12)