Home Aldehydes 1-Butyl-3-(trifluoromethyl)pyrazole-5-carboxaldehyde

1-Butyl-3-(trifluoromethyl)pyrazole-5-carboxaldehyde

CAS No.:
1437794-33-6
Catalog Number:
AG00AQI4
Molecular Formula:
C9H11F3N2O
Molecular Weight:
220.1916
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00AQI4
Chemical Name:
1-Butyl-3-(trifluoromethyl)pyrazole-5-carboxaldehyde
CAS Number:
1437794-33-6
Molecular Formula:
C9H11F3N2O
Molecular Weight:
220.1916
MDL Number:
MFCD24448786
IUPAC Name:
2-butyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H11F3N2O/c1-2-3-4-14-7(6-15)5-8(13-14)9(10,11)12/h5-6H,2-4H2,1H3
InChI Key:
GFMCLFJSIVQJCR-UHFFFAOYSA-N
SMILES:
CCCCn1nc(cc1C=O)C(F)(F)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.082g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.195g/mol
Monoisotopic Mass:
220.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties