Home Carboxys 1-(2-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

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

CAS No.:
948293-88-7
Catalog Number:
AG01DJ4G
Molecular Formula:
C11H6ClF3N2O2
Molecular Weight:
290.6257
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$70
- +
250mg
95%
In Stock USA
United States
$126
- +
1g
95%
In Stock USA
United States
$220
- +
Product Description
Catalog Number:
AG01DJ4G
Chemical Name:
1-(2-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
948293-88-7
Molecular Formula:
C11H6ClF3N2O2
Molecular Weight:
290.6257
MDL Number:
MFCD08446379
IUPAC Name:
1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H6ClF3N2O2/c12-7-3-1-2-4-8(7)17-9(11(13,14)15)6(5-16-17)10(18)19/h1-5H,(H,18,19)
InChI Key:
XOYBIULMFZJISK-UHFFFAOYSA-N
SMILES:
Clc1ccccc1n1ncc(c1C(F)(F)F)C(=O)O
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.007g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.626g/mol
Monoisotopic Mass:
290.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties