Phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]-


Chemical Name: Phenol, 4-[4-(4-nitrophenyl)-1-piperazinyl]-
CAS Number: 112559-81-6
Product Number: AG00HCED(AGN-PC-007YLX)
Synonyms:
MDL No:
Molecular Formula: C16H17N3O3
Molecular Weight: 299.3245

Identification/Properties


Computed Properties
Molecular Weight:
299.33g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
299.127g/mol
Monoisotopic Mass:
299.127g/mol
Topological Polar Surface Area:
72.5A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
363
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
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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