Benzene, 1-nitro-4-(phenylmethoxy)-


Chemical Name: Benzene, 1-nitro-4-(phenylmethoxy)-
CAS Number: 1145-76-2
Product Number: AG000EKU(AGN-PC-0JL9YO)
Synonyms:
MDL No:
Molecular Formula: C13H11NO3
Molecular Weight: 229.2313

Identification/Properties


Computed Properties
Molecular Weight:
229.235g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
229.074g/mol
Monoisotopic Mass:
229.074g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
238
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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