chempirical

1-(4-Methyl-3-nitrophenyl)ethanone

C9H9NO3CAS 5333-27-7179.17 g/mol

Open in Covalent MOL file
ON+OO−
KetoneNitroTertiary Amine

Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
Melting point
62 °C
logP
2.11Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
5333-27-7
SMILES
CC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIKey
YRBBMDOBWRUMEZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3/c1-6-3-4-8(7(2)11)5-9(6)10(12)13/h3-5H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Ethanone, 1-(4-methyl-3-nitrophenyl)-
  • Acetophenone, 4′-methyl-3′-nitro-
  • Acetophenone, 4-methyl-3-nitro-
  • 4′-Methyl-3′-nitroacetophenone
  • 3′-Nitro-4′-methylacetophenone
  • NSC 617
  • 1-(4-Methyl-3-nitrophenyl)ethan-1-one

Work with 1-(4-Methyl-3-nitrophenyl)ethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 1-(3-Nitrophenyl)-1-propanone17408-16-1 3A,4,7,7A-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0 2-Methoxy-β-nitrostyrene3316-24-3 5-Acetyl-2-hydroxybenzamide40187-51-7

Elsewhere

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