4-(1H-Pyrazol-1-yl)benzoic acid

Name: 4-(1H-Pyrazol-1-yl)benzoic acid
SKU: ACM16209000
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Catalog NumberACM16209000

CAS Number16209-00-0

CategoryLigands for Functional Metal Complexes

IUPAC Name

4-pyrazol-1-ylbenzoic acid

Molecular Weight

188.18g/mol

Molecular Formula

C10H8N2O2

Canonical SMILES

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C10H8N2O2/c13-10(14)8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,(H,13,14)

InChI Key

XOEKYPIBVOGCDG-UHFFFAOYSA-N

Complexity

212

Covalently-Bonded Unit Count

Exact Mass

188.058578g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

188.058578g/mol

Rotatable Bond Count

XLogP3

1.7

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