3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-


Chemical Name: 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-
CAS Number: 14580-22-4
Product Number: AG001DF9(AGN-PC-0JLV5D)
Synonyms:
MDL No:
Molecular Formula: C10H9ClN2O
Molecular Weight: 208.6443

Identification/Properties


Properties
MP:
193-197 °C(lit.)
BP:
361.6 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
208.645g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
208.04g/mol
Monoisotopic Mass:
208.04g/mol
Topological Polar Surface Area:
32.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
277
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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