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


Chemical Name: Benzene, 1-nitro-4-(phenylmethyl)-
CAS Number: 1817-77-2
Product Number: AG002329(AGN-PC-0JMPCG)
Synonyms:
MDL No:
Molecular Formula: C13H11NO2
Molecular Weight: 213.2319

Identification/Properties


Properties
MP:
31℃
BP:
114-115 °C0.05 mm Hg(lit.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.6040(lit.)
Computed Properties
Molecular Weight:
213.236g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
213.079g/mol
Monoisotopic Mass:
213.079g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
223
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:
H317
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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