4-[(4-bromanylpyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]benzoic acid Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]benzoic acid CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]benzoic acid Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]benzoic acid Formula: C11H9BrN2O2 MolecularWeight: 281.10536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)O

InChI

InChI=1S/C11H9BrN2O2/c12-10-5-13-14(7-10)6-8-1-3-9(4-2-8)11(15)16/h1-5,7H,6H2,(H,15,16)