1H-Pyrazole, 3-chloro-5-methyl-4-nitro-


Chemical Name: 1H-Pyrazole, 3-chloro-5-methyl-4-nitro-
CAS Number: 6814-58-0
Product Number: AG005MIQ(AGN-PC-0JKGY4)
Synonyms:
MDL No:
Molecular Formula: C4H4ClN3O2
Molecular Weight: 161.5465

Identification/Properties


Properties
MP:
111°C
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
161.545g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
160.999g/mol
Monoisotopic Mass:
160.999g/mol
Topological Polar Surface Area:
74.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
148
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335-H351
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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