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Home Aldehydes 1-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-4-carbaldehyde

1-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-4-carbaldehyde

CAS No.:
1275308-13-8
Catalog Number:
AG01AG02
Molecular Formula:
C12H9F3N2O
Molecular Weight:
254.2079
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Product Description
Catalog Number:
AG01AG02
Chemical Name:
1-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-4-carbaldehyde
CAS Number:
1275308-13-8
Molecular Formula:
C12H9F3N2O
Molecular Weight:
254.2079
MDL Number:
MFCD17381961
IUPAC Name:
1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H9F3N2O/c13-12(14,15)11-3-1-9(2-4-11)6-17-7-10(8-18)5-16-17/h1-5,7-8H,6H2
InChI Key:
ZFSQGFHRYKPHDO-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)Cc1ccc(cc1)C(F)(F)F
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.067g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.212g/mol
Monoisotopic Mass:
254.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties