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

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

CAS No.:
595610-50-7
Catalog Number:
AG00E8YK
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$69
- +
5g
96%
In Stock USA
United States
$210
- +
10g
96%
In Stock USA
United States
$344
- +
25g
96%
In Stock USA
United States
$642
- +
Product Description
Catalog Number:
AG00E8YK
Chemical Name:
5-(3-Chlorophenyl)-1h-pyrazole-3-carboxylic acid
CAS Number:
595610-50-7
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD05170019
IUPAC Name:
3-(3-chlorophenyl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C10H7ClN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChI Key:
XJZLQBGNAQXXGE-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1[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
Pyrazole derivatives as partial agonists for the nicotinic acid receptor. Journal of medicinal chemistry 20030828
Properties