1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 1-(2-bromo-4,6-difluoro-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid CAS Name: 1-(2-bromo-4,6-difluorophenyl)-4-(3-hydroxypropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2-bromo-4,6-difluorophenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Traditional Name: 1-(2-bromo-4,6-difluoro-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Formula: C13H11BrF2N2O3 MolecularWeight: 361.138846

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)N2C=C(C(=N2)C(=O)O)CCCO)Br)F

Isomeric SMILES

C1=C(C=C(C(=C1F)N2C=C(C(=N2)C(=O)O)CCCO)Br)F

InChI

InChI=1S/C13H11BrF2N2O3/c14-9-4-8(15)5-10(16)12(9)18-6-7(2-1-3-19)11(17-18)13(20)21/h4-6,19H,1-3H2,(H,20,21)