Home Aldehydes 1-Methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

1-Methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

CAS No.:
128225-66-1
Catalog Number:
AG000XW0
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$94
- +
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$769
- +
10g
98%
In Stock USA
United States
$1138
- +
Product Description
Catalog Number:
AG000XW0
Chemical Name:
1-Methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CAS Number:
128225-66-1
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD09991529
IUPAC Name:
1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H5F3N2O/c1-11-2-4(3-12)5(10-11)6(7,8)9/h2-3H,1H3
InChI Key:
QNEXGLZIJJETOO-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C(F)(F)F)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.114g/mol
Monoisotopic Mass:
178.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties