chempirical

3-Nitrobenzaldoxime

C7H6N2O3CAS 3431-62-7166.14 g/mol

Open in Covalent MOL file
N+OO−NOH
NitroOxime

Properties

Molecular formula
C7H6N2O3
Molar mass
166.14 g/mol
Exact mass
166.0378 Da
logP
1.40Crippen estimate
Polar surface area
75.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

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
3431-62-7
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=NO
InChIKey
GQMMRLBWXCGBEV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O3/c10-8-5-6-2-1-3-7(4-6)9(11)12/h1-5,10H

Weigh it out

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Work with 3-Nitrobenzaldoxime

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

3-Nitrobenzaldehyde99-61-661 % similar 3-Nitrostyrene586-39-059 % similar 1,3-Dinitrobenzene99-65-056 % similar 3-(3-Nitrophenyl)-2-propenoic acid555-68-053 % similar 3-Nitrophenol554-84-751 % similar 3-Nitrochlorobenzene121-73-349 % similar 1-Fluoro-3-nitrobenzene402-67-549 % similar 3-Nitrophenylboronic acid13331-27-648 % similar

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

Same formula

4-Nitrobenzaldehyde oxime1129-37-9 2-Nitrobenzamide610-15-1 4-Nitrobenzamide619-80-7 3-Nitrobenzamide645-09-0 2-Nitrobenzaldehyde oxime6635-41-2

Elsewhere

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