CAS 887408-58-4 | 3-(4-CHLOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID | CAS Number 887408-58-4

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887408-58-4 | 3-(4-CHLOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

CAS No: 887408-58-4 Catalog No: AG004CS5 MDL No:MFCD02224145

Product Description

Catalog Number:

AG004CS5

Chemical Name:

3-(4-CHLOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

CAS Number:

887408-58-4

Molecular Formula:

C10H7ClN2O2

Molecular Weight:

222.6278

MDL Number:

MFCD02224145

IUPAC Name:

3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid

InChI:

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

InChI Key:

WYTQCLKZYRFUIQ-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)c1n[nH]c(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:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Pyrazole derivatives as partial agonists for the nicotinic acid receptor.	Journal of medicinal chemistry 20030828