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

Systemtic Name: 1-[4-bromanyl-2,6-bis(chloranyl)phenyl]-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-bromo-2,6-dichloro-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-bromo-2,6-dichlorophenyl)-4-(3-hydroxypropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromo-2,6-dichlorophenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-bromo-2,6-dichloro-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Formula: C13H11BrCl2N2O3 MolecularWeight: 394.04804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrCl2N2O3/c14-8-4-9(15)12(10(16)5-8)18-6-7(2-1-3-19)11(17-18)13(20)21/h4-6,19H,1-3H2,(H,20,21)