chempirical

5-Aminoisatoic anhydride

C8H6N2O3CAS 169037-24-5178.15 g/mol

Open in Covalent MOL file
H2NOOONH
Primary amine

Properties

Molecular formula
C8H6N2O3
Molar mass
178.15 g/mol
Exact mass
178.0378 Da
logP
0.06Crippen estimate
Polar surface area
89.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
169037-24-5
SMILES
C1=CC2=C(C=C1N)C(=O)OC(=O)N2
InChIKey
QEQDLBKVHJXPJA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,9H2,(H,10,12)

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Work with 5-Aminoisatoic anhydride

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

3,6-Diaminocarbazole86-71-553 % similar 6,7-Dimethoxy-2H-3,1-benzoxazine-2,4(1H)-dione20197-92-649 % similar 4,4-Oxydianiline pyromellitic dianhydride copolymer25038-81-743 % similar 2-(4-Aminophenyl)-5-aminobenzimidazole7621-86-537 % similar 7-Amino-4-(trifluoromethyl)coumarin53518-15-334 % similar 7-Amino-4-methylcoumarin26093-31-233 % similar 5-Amino-2-(trifluoromethyl)benzimidazole3671-66-733 % similar 5-Aminoindole5192-03-033 % similar

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

Same formula

2-Cyano-5-nitroanisole101084-96-2 6-Nitro-isoindolin-1-one110568-64-4 4-Isocyanato-1-methyl-2-nitrobenzene13471-69-7 3-Methoxy-2-nitro benzonitrile142596-50-7 5-Nitro-2-oxindole20870-79-5 2-(4-Nitrophenoxy)acetonitrile33901-46-1 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-3 2-Methyl-6-nitrobenzoxazole5683-43-2

Elsewhere

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