Home Carboxys 5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid

5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
129768-28-1
Catalog Number:
AG000TOO
Molecular Formula:
C5H3F3N2O2
Molecular Weight:
180.0847
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$107
- +
1g
95%
In Stock USA
United States
$219
- +
5g
95%
In Stock USA
United States
$663
- +
10g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG000TOO
Chemical Name:
5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
129768-28-1
Molecular Formula:
C5H3F3N2O2
Molecular Weight:
180.0847
MDL Number:
MFCD03094951
IUPAC Name:
5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H3F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h1H,(H,9,10)(H,11,12)
InChI Key:
CIVNBJPTGRMGRS-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1)C(F)(F)F
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.086g/mol
Monoisotopic Mass:
180.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties