1H-Pyrazole-4-carboxaldehyde, 1-methyl-5-phenoxy-3-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole-4-carboxaldehyde, 1-methyl-5-phenoxy-3-(trifluoromethyl)-
CAS Number: 109925-42-0
Product Number: AG007EF3(AGN-PC-0KKWW9)
Synonyms:
MDL No:
Molecular Formula: C12H9F3N2O2
Molecular Weight: 270.2073

Identification/Properties


Computed Properties
Molecular Weight:
270.211g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
270.062g/mol
Monoisotopic Mass:
270.062g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
319
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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