CAS 1197631-00-7 | 1H-Pyrazole-3-carboxylic acid, 5-(2-chlorophenyl)- | CAS Number 1197631-00-7

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1197631-00-7 | 1H-Pyrazole-3-carboxylic acid, 5-(2-chlorophenyl)-

CAS No: 1197631-00-7 Catalog No: AG000PM4 MDL No:MFCD04327495

Product Description

Catalog Number:

AG000PM4

Chemical Name:

1H-Pyrazole-3-carboxylic acid, 5-(2-chlorophenyl)-

CAS Number:

1197631-00-7

Molecular Formula:

C10H7ClN2O2

Molecular Weight:

222.6278

MDL Number:

MFCD04327495

IUPAC Name:

3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid

InChI:

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

InChI Key:

YECLPKDINYXXNB-UHFFFAOYSA-N

SMILES:

Clc1ccccc1c1[nH]nc(c1)C(=O)O

Properties

Complexity:

250

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
Design and synthesis of pyrazole derivatives as potent and selective inhibitors of tissue-nonspecific alkaline phosphatase (TNAP).	Bioorganic & medicinal chemistry letters 20090101
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