2,3-Dihydro-4-nitro-1H-isoindol-1-one

C₈H₆N₂O₃CAS 366452-97-3178.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆N₂O₃
Molar mass: 178.15 g/mol
Exact mass: 178.0378 Da
logP: 1.41Crippen estimate
Polar surface area: 75.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

366452-97-3

SMILES

O=[N+]([O-])c1cccc2c1CN=C2O

InChIKey

RTDDSWLIZLMORY-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O3/c11-8-5-2-1-3-7(10(12)13)6(5)4-9-8/h1-3H,4H2,(H,9,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

1H-Isoindol-1-one, 2,3-dihydro-4-nitro-
4-Nitro-2,3-dihydroisoindol-1-one

Work with 2,3-Dihydro-4-nitro-1H-isoindol-1-one

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-Nitrobenzohydrazide606-26-857 % similar 3-Nitrophthalimide603-62-355 % similar 4-Amino-2,3-dihydro-1H-isoindol-1-one366452-98-451 % similar 2-Nitrobenzoic acid552-16-951 % similar 4-Nitro-1-indanone24623-25-450 % similar 2-Nitrobenzamide610-15-150 % similar N-(2-Nitrophenyl)benzamide728-90-550 % similar 3-Nitrophthalic acid603-11-248 % 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 2-(4-Nitrophenoxy)acetonitrile33901-46-1 2-Methyl-6-nitrobenzoxazole5683-43-2

Elsewhere

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