957507-55-0 Purity
96%
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Specification
The molecular formula of 2-Chloro-5-(1H-pyrazol-1-yl)benzoic acid is C10H7ClN2O2.
The molecular weight of 2-Chloro-5-(1H-pyrazol-1-yl)benzoic acid is 222.63 g/mol.
The IUPAC Name of 2-Chloro-5-(1H-pyrazol-1-yl)benzoic acid is 2-chloro-5-pyrazol-1-ylbenzoic acid.
The InChI of 2-Chloro-5-(1H-pyrazol-1-yl)benzoic acid is InChI=1S/C10H7ClN2O2/c11-9-3-2-7(6-8(9)10(14)15)13-5-1-4-12-13/h1-6H,(H,14,15).
The InChIKey of 2-Chloro-5-(1H-pyrazol-1-yl)benzoic acid is IJWPYVIFFDSOQM-UHFFFAOYSA-N.
The canonical SMILES of 2-Chloro-5-(1H-pyrazol-1-yl)benzoic acid is C1=CN(N=C1)C2=CC(=C(C=C2)Cl)C(=O)O.
The CAS number of 2-Chloro-5-(1H-pyrazol-1-yl)benzoic acid is 957509-90-9.
The DSSTox Substance ID of 2-Chloro-5-(1H-pyrazol-1-yl)benzoic acid is DTXSID00415539.
The XLogP3-AA value of 2-Chloro-5-(1H-pyrazol-1-yl)benzoic acid is 2.
Yes, 2-Chloro-5-(1H-pyrazol-1-yl)benzoic acid is a canonicalized compound.