1H-Pyrazole-4-carbonyl chloride, 1-methyl-3-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole-4-carbonyl chloride, 1-methyl-3-(trifluoromethyl)-
CAS Number: 126674-98-4
Product Number: AG000T31(AGN-PC-0KL6YI)
Synonyms:
MDL No:
Molecular Formula: C6H4ClF3N2O
Molecular Weight: 212.5570

Identification/Properties


Computed Properties
Molecular Weight:
212.556g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
211.996g/mol
Monoisotopic Mass:
211.996g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
220
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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