Home Carboxys 1-Propyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

1-Propyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

CAS No.:
1103427-26-4
Catalog Number:
AG00HBPD
Molecular Formula:
C8H9F3N2O2
Molecular Weight:
222.1645
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$313
- +
5g
95%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG00HBPD
Chemical Name:
1-Propyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CAS Number:
1103427-26-4
Molecular Formula:
C8H9F3N2O2
Molecular Weight:
222.1645
MDL Number:
MFCD28024841
IUPAC Name:
1-propyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C8H9F3N2O2/c1-2-3-13-4-5(7(14)15)6(12-13)8(9,10)11/h4H,2-3H2,1H3,(H,14,15)
InChI Key:
ZDRFYXGFSLMLRC-UHFFFAOYSA-N
SMILES:
CCCn1cc(c(n1)C(F)(F)F)C(=O)O
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.167g/mol
Monoisotopic Mass:
222.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties