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Home Halogens 1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
98534-78-2
Catalog Number:
AG01DHC4
Molecular Formula:
C11H5Cl2F3N2O2
Molecular Weight:
325.0708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$61
- +
250mg
95%
In Stock USA
United States
$110
- +
1g
95%
In Stock USA
United States
$219
- +
Product Description
Catalog Number:
AG01DHC4
Chemical Name:
1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
98534-78-2
Molecular Formula:
C11H5Cl2F3N2O2
Molecular Weight:
325.0708
MDL Number:
MFCD13352744
IUPAC Name:
1-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H5Cl2F3N2O2/c12-5-1-2-8(7(13)3-5)18-9(11(14,15)16)6(4-17-18)10(19)20/h1-4H,(H,19,20)
InChI Key:
WLPVRSPCOFJROU-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)n1ncc(c1C(F)(F)F)C(=O)O
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.968g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.068g/mol
Monoisotopic Mass:
323.968g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties