1H-Pyrazole-4-carbonitrile, 1-(phenylmethyl)-


Chemical Name: 1H-Pyrazole-4-carbonitrile, 1-(phenylmethyl)-
CAS Number: 121358-86-9
Product Number: AG007QHI(AGN-PC-0015ZT)
Synonyms:
MDL No:
Molecular Formula: C11H9N3
Molecular Weight: 183.2093

Identification/Properties


Computed Properties
Molecular Weight:
183.214g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
183.08g/mol
Monoisotopic Mass:
183.08g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
224
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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