chempirical

3-Methyl-4-nitrobenzhydrazide

C8H9N3O3CAS 72198-83-5195.18 g/mol

Open in Covalent MOL file
ONHH2NN+OO−
AmideNitroPrimary amine

Properties

Molecular formula
C8H9N3O3
Molar mass
195.18 g/mol
Exact mass
195.0644 Da
logP
0.51Crippen estimate
Polar surface area
98.3 Ų
H-bond donors / acceptors
2 / 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
72198-83-5
SMILES
CC1=C(C=CC(=C1)C(=O)NN)[N+](=O)[O-]
InChIKey
SMRIMKXHORAHJR-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N3O3/c1-5-4-6(8(12)10-9)2-3-7(5)11(13)14/h2-4H,9H2,1H3,(H,10,12)

Weigh it out

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Work with 3-Methyl-4-nitrobenzhydrazide

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-Methyl-4-nitrobenzamide99584-85-766 % similar 3-Methyl-4-nitrobenzoic acid3113-71-160 % similar 4-Nitrobenzoic acid hydrazide636-97-559 % similar Methyl 3-methyl-4-nitrobenzoate24078-21-558 % similar 3-Methyl-4-nitroaniline611-05-252 % similar 4-Nitro-m-xylene89-87-251 % similar 3'-Nitro-4'-methylacetophenone5333-27-751 % similar 4-Methyl-3-nitrobenzoyl chloride10397-30-550 % similar

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

Elsewhere

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