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Home Halogens 1H-Pyrazole, 4-chloro-3-ethyl-5-(trifluoromethyl)-

1H-Pyrazole, 4-chloro-3-ethyl-5-(trifluoromethyl)-

CAS No.:
637022-66-3
Catalog Number:
AG01DTNE
Molecular Formula:
C6H6ClF3N2
Molecular Weight:
198.5734
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$56
- +
250mg
95%
In Stock USA
United States
$101
- +
1g
95%
In Stock USA
United States
$202
- +
Product Description
Catalog Number:
AG01DTNE
Chemical Name:
1H-Pyrazole, 4-chloro-3-ethyl-5-(trifluoromethyl)-
CAS Number:
637022-66-3
Molecular Formula:
C6H6ClF3N2
Molecular Weight:
198.5734
MDL Number:
MFCD31801675
IUPAC Name:
4-chloro-5-ethyl-3-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C6H6ClF3N2/c1-2-3-4(7)5(12-11-3)6(8,9)10/h2H2,1H3,(H,11,12)
InChI Key:
XPHOQLFXRQWBOK-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c(c1Cl)C(F)(F)F
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.017g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.573g/mol
Monoisotopic Mass:
198.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties