4-Iodo-1-methyl-3-trifluoromethyl-1H-pyrazole


Chemical Name: 4-Iodo-1-methyl-3-trifluoromethyl-1H-pyrazole
CAS Number: 1194377-09-7
Product Number: AG000P7F(AGN-PC-0WAJCU)
Synonyms:
MDL No:
Molecular Formula: C5H4F3IN2
Molecular Weight: 275.9983

Identification/Properties


Computed Properties
Molecular Weight:
276.001g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
275.937g/mol
Monoisotopic Mass:
275.937g/mol
Topological Polar Surface Area:
17.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
149
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:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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