2,3-Dihydro-6-nitro-1,4-benzodioxin

C8H7NO4CAS 16498-20-7181.15 g/mol

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EtherNitro

Properties

Molecular formula
C8H7NO4
Molar mass
181.15 g/mol
Exact mass
181.0375 Da
Melting point
121–122 °C
logP
1.37Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

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
16498-20-7
SMILES
O=[N+]([O-])c1ccc2c(c1)OCCO2
InChIKey
MQSGCURTKWHBRX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2

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Names and synonyms

3 names
  • 1,4-Benzodioxin, 2,3-dihydro-6-nitro-
  • 1,4-Benzodioxan, 6-nitro-
  • 6-Nitro-1,4-benzodioxan

Work with 2,3-Dihydro-6-nitro-1,4-benzodioxin

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

4'-Nitrobenzo-18-crown 6-Ether53408-96-190 % similar 2,3,5,6,8,9,11,12-Octahydro-15-nitro-1,4,7,10,13-benzopentaoxacyclopentadecin60835-69-090 % similar 6-Nitro-1,3-benzodioxole2620-44-280 % similar 5-Nitro-2,3-dihydro-1-benzofuran17403-47-368 % similar 2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene92878-95-061 % similar 2-Bromo-5-nitroethoxybenzene423165-33-761 % similar 6-Nitrochroman-4-one68043-53-859 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Aminoterephthalic acid10312-55-7 (4-Nitrophenyl)acetic acid104-03-0 2-Methyl-6-nitrobenzoic acid13506-76-8 2-Methoxy-4-nitrobenzaldehyde136507-15-8 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-6 5-(Methoxycarbonyl)pyridine-2-carboxylic acid17874-79-2 3-Nitrophenylacetic acid1877-73-2 2-Methyl-3-nitrobenzoic acid1975-50-4

Elsewhere

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