4,5-Dimethoxy-2-nitrotoluene

C9H11NO4CAS 7509-11-7197.19 g/mol

Open in Covalent MOL file
N+OO−OO
EtherNitro

Properties

Molecular formula
C9H11NO4
Molar mass
197.19 g/mol
Exact mass
197.0688 Da
logP
1.92Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7509-11-7
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC
InChIKey
BNJRARLHTLUQCH-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO4/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3

Weigh it out

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Work with 4,5-Dimethoxy-2-nitrotoluene

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

1,2-Dimethoxy-4,5-dinitrobenzene3395-03-776 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-566 % similar 3-Methyl-4-nitroanisole5367-32-861 % similar 1-Fluoro-5-methoxy-2-methyl-4-nitrobenzene314298-13-061 % similar DMNB20357-25-959 % similar 2,4-Dimethyl-5-nitroaniline2124-47-259 % similar 2,5-Dimethoxy-4-nitrobenzenamine6313-37-758 % similar 4,5-Dimethoxy-2-nitrobenzenemethanol1016-58-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide24207-41-8 4-Hydroxy-3,5-dimethoxybenzamide3086-72-4 2-Amino-4,5-dimethoxybenzoic acid5653-40-7 5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoic acid57078-99-6 D-Dopa5796-17-8 DOPA59-92-7 Dl-dopa63-84-3 Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate70254-52-3

Elsewhere

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