Name: Name:1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-
Brand: Angene
SKU: AG0019TA
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-

CAS No.:

138907-80-9

Catalog Number:

AG0019TA

Molecular Formula:

C10H7ClN2O2

Molecular Weight:

222.6278

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Product Description

Catalog Number:

AG0019TA

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-

CAS Number:

138907-80-9

Molecular Formula:

C10H7ClN2O2

Molecular Weight:

222.6278

MDL Number:

MFCD09936018

IUPAC Name:

1-(4-chlorophenyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C10H7ClN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)

InChI Key:

PBSAOBJMSYDULI-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)n1ncc(c1)C(=O)O

Properties

Complexity:

242

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.628g/mol

Monoisotopic Mass:

222.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and structure-activity relationships of 1-phenylpyrazoles as xanthine oxidase inhibitors.	Bioorganic & medicinal chemistry letters 20010409

Properties