Home Other Building Blocks 4-Chloro-3-trifluoromethyl-5-(methyl)pyrazole

4-Chloro-3-trifluoromethyl-5-(methyl)pyrazole

CAS No.:
235106-12-4
Catalog Number:
AG002NI1
Molecular Formula:
C5H4ClF3N2
Molecular Weight:
184.5469
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$44
- +
5g
95%
In Stock USA
United States
$160
- +
Product Description
Catalog Number:
AG002NI1
Chemical Name:
4-Chloro-3-trifluoromethyl-5-(methyl)pyrazole
CAS Number:
235106-12-4
Molecular Formula:
C5H4ClF3N2
Molecular Weight:
184.5469
MDL Number:
MFCD00155724
IUPAC Name:
4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C5H4ClF3N2/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3,(H,10,11)
InChI Key:
KNTOBPVSOYISFT-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(c1Cl)C(F)(F)F
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.002g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.546g/mol
Monoisotopic Mass:
184.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties