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Home > Aldehydes > 128225-66-1
128225-66-1 | 1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-(trifluoromethyl)-
CAS No: 128225-66-1 Catalog No: AG000XW0 MDL No:MFCD09991529
Product Description
Catalog Number:
AG000XW0
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-(trifluoromethyl)-
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
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