chempirical

2-[(4-Nitrophenoxy)methyl]oxirane

C9H9NO4CAS 5255-75-4195.17 g/mol

Open in Covalent MOL file
ON+O−OO
EpoxideEtherNitro

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
69 °C
Boiling point
148–150 °C (at 1.5 Torr)
logP
1.37Crippen estimate
Polar surface area
64.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
5255-75-4
SMILES
O=[N+]([O-])c1ccc(OCC2CO2)cc1
InChIKey
FPIGOBKNDYAZTP-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2

Weigh it out

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

Names and synonyms

18 names · show all
  • Oxirane, 2-[(4-nitrophenoxy)methyl]-
  • Propane, 1,2-epoxy-3-(p-nitrophenoxy)-
  • Oxirane, [(4-nitrophenoxy)methyl]-
  • p-Nitrophenyl glycidyl ether
  • Glycidyl 4-nitrophenyl ether
  • 1-(p-Nitrophenoxy)-2,3-epoxypropane
  • 2,3-Epoxy-1-(p-nitrophenoxy)propane
  • Glycidyl p-nitrophenyl ether
  • 1-(4-Nitrophenoxy)-2,3-propylene oxide
  • 4-Nitrophenyl glycidyl ether
  • 1,2-Epoxy-3-(4′-nitrophenoxy)propane
  • 1,2-Epoxy-3-(p-nitrophenoxy)propane
  • 1-(Glycidyloxy)-4-nitrobenzene
  • [(4-Nitrophenoxy)methyl]oxirane
  • 1-(4-Nitrophenoxy)-2,3-epoxypropane
  • 4-(2,3-Epoxypropoxy)nitrobenzene
  • NSC 1733
  • 1,2-Epoxy-3-(4-nitrophenoxy)propane

Work with 2-[(4-Nitrophenoxy)methyl]oxirane

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

(S)-(+)-Glycidyl-4-nitrobenzoate118712-60-059 % similar (R)-(-)-Glycidyl-4-nitrobenzenesulfonate123750-60-759 % similar P-Nitrophenetole100-29-858 % similar 1-Butoxy-4-nitrobenzene7244-78-256 % similar 1-(2-Bromoethoxy)-4-nitrobenzene13288-06-755 % similar 2-(4-Nitrophenoxy)ethanol16365-27-855 % similar 1-(2-Chloroethoxy)-4-nitrobenzene3383-72-055 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-355 % similar

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

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

PubChem CAS Common Chemistry NIST WebBook