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

Systemtic Name: 1-[4-bromanyl-2,6-bis(chloranyl)phenyl]-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-bromo-2,6-dichloro-phenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-bromo-2,6-dichlorophenyl)-4-(2-hydroxyethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromo-2,6-dichlorophenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-bromo-2,6-dichloro-phenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid Formula: C12H9BrCl2N2O3 MolecularWeight: 380.02146

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C=C(C(=N2)C(=O)O)CCO)Cl)Br

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C=C(C(=N2)C(=O)O)CCO)Cl)Br

InChI

InChI=1S/C12H9BrCl2N2O3/c13-7-3-8(14)11(9(15)4-7)17-5-6(1-2-18)10(16-17)12(19)20/h3-5,18H,1-2H2,(H,19,20)