chempirical

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

C9H9NO4CAS 6277-38-9195.17 g/mol

Open in Covalent MOL file
OON+OO−
KetoneNitroTertiary Amine

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
99.5 °C
logP
1.81Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
6277-38-9
SMILES
COc1ccc(C(C)=O)cc1[N+](=O)[O-]
InChIKey
VXLKYQQBEPCMJE-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-(4-methoxy-3-nitrophenyl)-
  • Acetophenone, 4′-methoxy-3′-nitro-
  • Acetophenone, 4-methoxy-3-nitro-
  • 4-Methoxy-3-nitroacetophenone
  • 4′-Methoxy-3′-nitroacetophenone
  • 3′-Nitro-4′-methoxyacetophenone
  • 3-Nitro-4-methoxyacetophenone
  • NSC 35014
  • NSC 49586
  • 1-(3-Nitro-4-methoxyphenyl)ethan-1-one
  • 1-(4-Methoxy-3-nitrophenyl)ethan-1-one

Work with 1-(4-Methoxy-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

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5 Salicylamide O-acetic acid25395-22-6

Elsewhere

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