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Home Halogens 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-propyl-

1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-propyl-

CAS No.:
175137-17-4
Catalog Number:
AG0020B4
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$183
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Product Description
Catalog Number:
AG0020B4
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-propyl-
CAS Number:
175137-17-4
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
MDL Number:
MFCD00068141
IUPAC Name:
1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C13H13ClN2O2/c1-2-3-12-11(13(17)18)8-15-16(12)10-6-4-9(14)5-7-10/h4-8H,2-3H2,1H3,(H,17,18)
InChI Key:
RTLVBOYPVGHHGC-UHFFFAOYSA-N
SMILES:
CCCc1c(cnn1c1ccc(cc1)Cl)C(=O)O
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
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
Properties