2-Amino-3-nitrobenzamide

C7H7N3O3CAS 313279-12-8181.15 g/mol

Open in Covalent MOL file
N+OO−NH2ONH2
AmideNitroPrimary amine

Properties

Molecular formula
C7H7N3O3
Molar mass
181.15 g/mol
Exact mass
181.0487 Da
logP
0.28Crippen estimate
Polar surface area
112.2 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.

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Identifiers

CAS number
313279-12-8
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)N
InChIKey
RMLPQVFYXZMJES-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3O3/c8-6-4(7(9)11)2-1-3-5(6)10(12)13/h1-3H,8H2,(H2,9,11)

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Work with 2-Amino-3-nitrobenzamide

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-Amino-3-nitrobenzoic acid606-18-867 % similar 2,6-Dinitroaniline606-22-464 % similar Methyl 3-nitroanthranilate57113-91-463 % similar 3-Nitro-1,2-phenylenediamine3694-52-857 % similar 2-Bromo-6-nitrobenzenamine59255-95-755 % similar 2-Chloro-6-nitrobenzenamine769-11-955 % similar 5-Chloro-2-nitrobenzamide40763-96-055 % similar 2-Fluoro-6-nitrobenzenamine17809-36-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Acetamido-5-nitropyridine5093-64-1 o-Nitrobenzohydrazide606-26-8 3-Nitrobenzohydrazide618-94-0 4-Nitrobenzoic acid hydrazide636-97-5

Elsewhere

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