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Home Carboxys 3-(2-Chlorophenyl)-1h-pyrazole-5-carboxylic acid

3-(2-Chlorophenyl)-1h-pyrazole-5-carboxylic acid

CAS No.:
1197631-00-7
Catalog Number:
AG000PM4
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$42
- +
250mg
95%
In Stock USA
United States
$78
- +
1g
95%
In Stock USA
United States
$155
- +
5g
95%
In Stock USA
United States
$463
- +
Product Description
Catalog Number:
AG000PM4
Chemical Name:
3-(2-Chlorophenyl)-1h-pyrazole-5-carboxylic acid
CAS Number:
1197631-00-7
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD05170018
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties