1H-Pyrazole, 4-(2-chloroethyl)-3,5-dimethyl-


Chemical Name: 1H-Pyrazole, 4-(2-chloroethyl)-3,5-dimethyl-
CAS Number: 79379-05-8
Product Number: AG005K74(AGN-PC-0JXYBR)
Synonyms:
MDL No:
Molecular Formula: C7H11ClN2
Molecular Weight: 158.6286

Identification/Properties


Properties
MP:
125-127 °C
BP:
306.9 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
158.629g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
158.061g/mol
Monoisotopic Mass:
158.061g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
108
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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