chempirical

5-Nitro-2,3-dihydro-1-benzofuran

C8H7NO3CAS 17403-47-3165.15 g/mol

Open in Covalent MOL file
ON+OO−
EtherNitro

Properties

Molecular formula
C8H7NO3
Molar mass
165.15 g/mol
Exact mass
165.0426 Da
logP
1.53Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
17403-47-3
SMILES
C1COC2=C1C=C(C=C2)[N+](=O)[O-]
InChIKey
TYPKKUFDAHEIOP-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2

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Work with 5-Nitro-2,3-dihydro-1-benzofuran

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

2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-768 % similar 2,3,5,6,8,9,11,12-Octahydro-15-nitro-1,4,7,10,13-benzopentaoxacyclopentadecin60835-69-062 % similar 6-Nitro-1,3-benzodioxole2620-44-258 % similar 2,7-Dinitrofluorene5405-53-853 % similar 5-Nitroindoline32692-19-650 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-150 % similar 2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene92878-95-050 % similar 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-549 % similar

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

Same formula

P-Nitroacetophenone100-19-6 Methyl 6-formylpyridine-3-carboxylate10165-86-3 3′-Nitroacetophenone121-89-1 2-Methyl-5-nitrobenzaldehyde16634-91-6 3-Methyl-4-nitrobenzaldehyde18515-67-8 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-3 2-Amino-3-formylbenzoic acid27867-47-6 4-Methyl-3-nitrobenzaldehyde31680-07-6

Elsewhere

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