chempirical

4-tert-Butyl-2,6-dinitroanisole

C11H14N2O5CAS 77055-30-2254.24 g/mol

Open in Covalent MOL file
N+OO−ON+OO−
EtherNitro

Properties

Molecular formula
C11H14N2O5
Molar mass
254.24 g/mol
Exact mass
254.0903 Da
logP
2.81Crippen estimate
Polar surface area
95.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

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
77055-30-2
SMILES
CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])OC)[N+](=O)[O-]
InChIKey
OPKICKIJGJZVTG-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O5/c1-11(2,3)7-5-8(12(14)15)10(18-4)9(6-7)13(16)17/h5-6H,1-4H3

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Work with 4-tert-Butyl-2,6-dinitroanisole

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

Trinitroanisole606-35-965 % similar 4-tert-Butyl-2,6-dinitrophenol4097-49-861 % similar 4-(1,1-Dimethylethyl)-2-nitrobenzenamine6310-19-656 % similar Musk ambrette83-66-956 % similar 4-tert-Butyl-2-nitrophenol3279-07-053 % similar 4-tert-Butyl-1-chloro-2-nitrobenzene58574-05-353 % similar Butralin33629-47-952 % similar 1,2-Dimethoxy-4,5-dinitrobenzene3395-03-751 % similar

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

Elsewhere

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