Ethanone, 2-bromo-1-(4-nitrophenyl)-


Chemical Name: Ethanone, 2-bromo-1-(4-nitrophenyl)-
CAS Number: 99-81-0
Product Number: AG003GOS(AGN-PC-0JL7FK)
Synonyms:
MDL No:
Molecular Formula: C8H6BrNO3
Molecular Weight: 244.0421

Identification/Properties


Properties
MP:
94-99 °C(lit.)
BP:
325.2 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.6090 (estimate)
Computed Properties
Molecular Weight:
244.044g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
242.953g/mol
Monoisotopic Mass:
242.953g/mol
Topological Polar Surface Area:
62.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
206
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:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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