chempirical

1-(Benzyloxy)-2-methyl-3-nitrobenzene

C14H13NO3CAS 20876-37-3243.26 g/mol

Open in Covalent MOL file
ON+OO−
EtherNitro

Properties

Molecular formula
C14H13NO3
Molar mass
243.26 g/mol
Exact mass
243.0895 Da
logP
3.48Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
20876-37-3
SMILES
CC1=C(C=CC=C1OCC2=CC=CC=C2)[N+](=O)[O-]
InChIKey
PBSZHNXXFIYDBU-UHFFFAOYSA-N
InChI
InChI=1S/C14H13NO3/c1-11-13(15(16)17)8-5-9-14(11)18-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3

Weigh it out

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

Work with 1-(Benzyloxy)-2-methyl-3-nitrobenzene

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

1-Methoxy-2-methyl-3-nitrobenzene4837-88-161 % similar 2,6-Dinitrotoluene606-20-257 % similar 1-[3-Nitro-4-(phenylmethoxy)phenyl]ethanone14347-05-853 % similar 3-Nitro-o-xylene83-41-053 % similar 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-951 % similar 2-Methyl-3-nitrobenzenemethanol23876-13-351 % similar 1-Ethoxy-2-nitrobenzene610-67-351 % similar 2-[3-Nitro-4-(phenylmethoxy)phenyl]oxirane51582-41-351 % similar

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

Same formula

2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione104618-32-8

Elsewhere

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