5-(3-chloranylbutyl)pyrazol-3-one

Systemtic Name: 5-(3-chloranylbutyl)pyrazol-3-one Openeye Name: 5-(3-chlorobutyl)pyrazol-3-one CAS Name: 5-(3-chlorobutyl)-3-pyrazolone IUPAC Name: 5-(3-chlorobutyl)pyrazol-3-one Traditional Name: 5-(3-chlorobutyl)pyrazol-3-one Formula: C7H9ClN2O MolecularWeight: 172.61216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=O)N=N1)Cl

Isomeric SMILES

CC(CCC1=CC(=O)N=N1)Cl

InChI

InChI=1S/C7H9ClN2O/c1-5(8)2-3-6-4-7(11)10-9-6/h4-5H,2-3H2,1H3