chempirical

2-[3-Nitro-4-(phenylmethoxy)phenyl]oxirane

C15H13NO4CAS 51582-41-3271.27 g/mol

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EpoxideEtherNitro

Properties

Molecular formula
C15H13NO4
Molar mass
271.27 g/mol
Exact mass
271.0845 Da
logP
3.25Crippen estimate
Polar surface area
64.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
51582-41-3
SMILES
O=[N+]([O-])c1cc(C2CO2)ccc1OCc1ccccc1
InChIKey
MOGUBMMGIJLRHQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H13NO4/c17-16(18)13-8-12(15-10-20-15)6-7-14(13)19-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2

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Names and synonyms

5 names
  • Oxirane, 2-[3-nitro-4-(phenylmethoxy)phenyl]-
  • Oxirane, [3-nitro-4-(phenylmethoxy)phenyl]-
  • 4-Benzyloxy-1-(epoxyethyl)-3-nitrobenzene
  • 2-[4-(Benzyloxy)-3-nitrophenyl]oxirane
  • (±)-2-(4-Benzyloxy-3-nitrophenyl)oxirane

Work with 2-[3-Nitro-4-(phenylmethoxy)phenyl]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

2-Bromo-1-[3-nitro-4-(phenylmethoxy)phenyl]ethanone43229-01-257 % similar 1-[4-[(4-Fluorophenyl)methoxy]-3-nitrophenyl]ethanone175136-24-043 % similar 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-943 % similar 1,4-Diethoxy-2-nitrobenzene119-23-340 % similar 1-Ethoxy-2-nitrobenzene610-67-340 % similar 2-Chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene443882-99-339 % similar 5-(2R)-2-Oxiranyl-8-(phenylmethoxy)-2(1H)-quinolinone173140-90-438 % similar 1-(2-Nitrophenoxy)octane37682-29-438 % similar

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

Same formula

1-[3-Nitro-4-(phenylmethoxy)phenyl]ethanone14347-05-8

Elsewhere

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