2-azanyl-4,5-bis(fluoranyl)benzoic acid; 4-bromanylbenzaldehyde

Systemtic Name: 2-azanyl-4,5-bis(fluoranyl)benzoic acid; 4-bromanylbenzaldehyde Openeye Name: 2-amino-4,5-difluoro-benzoic acid; 4-bromobenzaldehyde CAS Name: 2-amino-4,5-difluorobenzoic acid; 4-bromobenzaldehyde IUPAC Name: 2-amino-4,5-difluorobenzoic acid; 4-bromobenzaldehyde Traditional Name: 2-amino-4,5-difluoro-benzoic acid; 4-bromobenzaldehyde Formula: C14H10BrF2NO3 MolecularWeight: 358.134906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)Br.C1=C(C(=CC(=C1F)F)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C=O)Br.C1=C(C(=CC(=C1F)F)N)C(=O)O

InChI

InChI=1S/C7H5BrO.C7H5F2NO2/c8-7-3-1-6(5-9)2-4-7;8-4-1-3(7(11)12)6(10)2-5(4)9/h1-5H;1-2H,10H2,(H,11,12)