3-chloro-5-methyl-1H-pyrazole


Chemical Name: 3-chloro-5-methyl-1H-pyrazole
CAS Number: 15953-45-4
Product Number: AG001R5E(AGN-PC-0JOVYM)
Synonyms:
MDL No:
Molecular Formula: C4H5ClN2
Molecular Weight: 116.5489

Identification/Properties


Computed Properties
Molecular Weight:
116.548g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
116.014g/mol
Monoisotopic Mass:
116.014g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
66.7
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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