chempirical

4-Nitrophenyl acetate

C8H7NO4CAS 830-03-5181.15 g/mol

Open in Covalent MOL file
OON+OO−
EsterNitro

Properties

Molecular formula
C8H7NO4
Molar mass
181.15 g/mol
Exact mass
181.0375 Da
Melting point
78 °C
logP
1.52Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
830-03-5
SMILES
CC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
QAUUDNIGJSLPSX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Acetic acid, 4-nitrophenyl ester
  • Acetic acid, p-nitrophenyl ester
  • Phenol, p-nitro-, acetate
  • p-Nitrophenol acetate
  • p-Nitrophenyl acetate
  • p-Acetoxynitrobenzene
  • p-Nitrobenzene acetate
  • NSC 2633

Work with 4-Nitrophenyl acetate

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

Similar compounds

Bis(4-nitrophenyl) carbonate5070-13-367 % similar 4-Nitrophenyl chloroformate7693-46-161 % similar Trifluoroacetic acid p-nitrophenyl ester658-78-656 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-356 % similar 4-Nitroanisole100-17-456 % similar 4-Methylphenyl acetate140-39-653 % similar P-Nitroacetophenone100-19-653 % similar P-Nitrophenyl palmitate1492-30-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Aminoterephthalic acid10312-55-7 (4-Nitrophenyl)acetic acid104-03-0 2-Methyl-6-nitrobenzoic acid13506-76-8 2-Methoxy-4-nitrobenzaldehyde136507-15-8 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-6 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-7 5-Methyl 2,5-pyridinedicarboxylate17874-79-2 3-Nitrophenylacetic acid1877-73-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook