5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-amine


Chemical Name: 5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-amine
CAS Number: 956397-18-5
Product Number: AG00IJA7(AGN-PC-0LW75B)
Synonyms:
MDL No:
Molecular Formula: C13H16ClN3
Molecular Weight: 249.7392

Identification/Properties


Computed Properties
Molecular Weight:
249.742g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
249.103g/mol
Monoisotopic Mass:
249.103g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
264
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:
P264-P270-P301+P310+P330-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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