1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-


Chemical Name: 1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-
CAS Number: 330792-70-6
Product Number: AG00I6DP(AGN-PC-03OE6M)
Synonyms:
MDL No:
Molecular Formula: C16H12N4O
Molecular Weight: 276.2927

Identification/Properties


Properties
BP:
585.3±50.0°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
276.299g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
276.101g/mol
Monoisotopic Mass:
276.101g/mol
Topological Polar Surface Area:
87.7A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
379
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


NMR Spectrum


Other Analytical Data


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