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Home Halogens 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acid

5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acid

CAS No.:
162758-35-2
Catalog Number:
AG001TE6
Molecular Formula:
C17H11Cl3N2O2
Molecular Weight:
381.6404
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$72
- +
10g
98%
In Stock USA
United States
$115
- +
25g
98%
In Stock USA
United States
$208
- +
100g
98%
In Stock USA
United States
$519
- +
Product Description
Catalog Number:
AG001TE6
Chemical Name:
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acid
CAS Number:
162758-35-2
Molecular Formula:
C17H11Cl3N2O2
Molecular Weight:
381.6404
MDL Number:
MFCD06411080
IUPAC Name:
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C17H11Cl3N2O2/c1-9-15(17(23)24)21-22(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,23,24)
InChI Key:
CYAYCOCJAVHQSD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)O
Properties
Complexity:
459  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.989g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
381.637g/mol
Monoisotopic Mass:
379.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Literature
Title Journal
5-(4-Chloro-phen-yl)-1-(2,4-dichloro-phen-yl)-4-methyl-1H-pyrazole-3-carboxylic acid. Acta crystallographica. Section E, Structure reports online 20081201
Properties