Ethanone, 1-(3-bromo-5-nitrophenyl)-


Chemical Name: Ethanone, 1-(3-bromo-5-nitrophenyl)-
CAS Number: 127413-59-6
Product Number: AG000X1U(AGN-PC-0JNH3V)
Synonyms:
MDL No:
Molecular Formula: C8H6BrNO3
Molecular Weight: 244.0421

Identification/Properties


Computed Properties
Molecular Weight:
244.044g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
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:
226
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

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NMR Spectrum


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