chempirical

1,3,5-Trimethoxy-2-nitrobenzene

C9H11NO5CAS 14227-18-0213.19 g/mol

Open in Covalent MOL file
OON+OO−O
EtherNitro

Properties

Molecular formula
C9H11NO5
Molar mass
213.19 g/mol
Exact mass
213.0637 Da
logP
1.62Crippen estimate
Polar surface area
70.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
14227-18-0
SMILES
COC1=CC(=C(C(=C1)OC)[N+](=O)[O-])OC
InChIKey
VWYAWLZEMLQGJH-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3

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Work with 1,3,5-Trimethoxy-2-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

2,4-Dimethoxy-1-nitrobenzene4920-84-762 % similar 1-Methoxy-3,5-dinitrobenzene5327-44-661 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-457 % similar 1-Methoxy-3-methyl-2-nitrobenzene5345-42-653 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-151 % similar 1-Bromo-3-methoxy-5-nitrobenzene16618-67-051 % similar 3-Methoxy-5-nitrobenzenamine586-10-751 % similar 3-Nitroanisole555-03-350 % similar

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

Same formula

4,5-Dimethoxy-2-nitrobenzenemethanol1016-58-6 1-(4-Nitrophenyl)-1,2,3-propanetriol2207-68-3 Droxidopa23651-95-8

Elsewhere

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