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Home Aldehydes 5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

CAS No.:
128455-62-9
Catalog Number:
AG000Y3S
Molecular Formula:
C6H4ClF3N2O
Molecular Weight:
212.5570
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$173
- +
5g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG000Y3S
Chemical Name:
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
128455-62-9
Molecular Formula:
C6H4ClF3N2O
Molecular Weight:
212.5570
MDL Number:
MFCD00068130
IUPAC Name:
5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H4ClF3N2O/c1-12-5(7)3(2-13)4(11-12)6(8,9)10/h2H,1H3
InChI Key:
PZOZNOVIRZSNHJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)n(nc1C(F)(F)F)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.996g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.556g/mol
Monoisotopic Mass:
211.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties