Ethanone, 1-(5-methyl-2-nitrophenyl)-


Chemical Name: Ethanone, 1-(5-methyl-2-nitrophenyl)-
CAS Number: 69976-70-1
Product Number: AG0039GY(AGN-PC-00FSD6)
Synonyms:
MDL No:
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727

Identification/Properties


Computed Properties
Molecular Weight:
179.175g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
179.058g/mol
Monoisotopic Mass:
179.058g/mol
Topological Polar Surface Area:
62.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
221
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


NMR Spectrum


PNMR/15-METHYL-2-NITROPHENYL_ETHANONE-69976-70-1-hnmr.pdf

Other Analytical Data


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