chempirical

7-Nitro-1-tetralone

C10H9NO3CAS 40353-34-2191.19 g/mol

Open in Covalent MOL file
ON+OO−
KetoneNitro

Properties

Molecular formula
C10H9NO3
Molar mass
191.19 g/mol
Exact mass
191.0582 Da
Melting point
105–106 °C
logP
2.11Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
40353-34-2
SMILES
O=C1CCCc2ccc([N+](=O)[O-])cc21
InChIKey
GWAQYWSNCVEJMW-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2

Weigh it out

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

Names and synonyms

8 names
  • 1(2H)-Naphthalenone, 3,4-dihydro-7-nitro-
  • 3,4-Dihydro-7-nitro-1(2H)-naphthalenone
  • 7-Nitro-α-tetralone
  • NSC 184729
  • NSC 78452
  • 3,4-Dihydro-7-nitronaphthalen-1(2H)-one
  • 7-Nitro-3,4-dihydro-1(2H)-naphthalenone
  • 7-Nitro-3,4-dihydro-2H-naphthalen-1-one

Work with 7-Nitro-1-tetralone

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

6-Nitroindanone24623-24-383 % similar 6-Nitrochroman-4-one68043-53-857 % similar 6-Nitro-isoindolin-1-one110568-64-456 % similar 7-Methyl-1-tetralone22009-37-654 % similar 3,4-Dihydro-7-hydroxy-1(2H)-naphthalenone22009-38-754 % similar 7-Chloro-1,2,3,4-tetrahydronaphthalen-1-one26673-32-554 % similar 7-Fluoro-1-tetralone2840-44-054 % similar 7-Bromo-1-tetralone32281-97-354 % similar

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

Same formula

5-Methoxy-1H-indole-3-carboxylic acid10242-01-0 4-Methoxy-1H-indole-2-carboxylic acid103260-65-7 7-Methoxy-1H-indole-3-carboxylic acid128717-77-1 5-Hydroxyindoleacetic acid1321-73-9 2-Oxindole-6-carboxylic acid methyl ester14192-26-8 (S)-(-)-4-Benzyloxazolidine-2,5-dione14825-82-2 6-Methoxy-1H-indole-2-carboxylic acid16732-73-3 Methyl oxindole-5-carboxylate199328-10-4

Elsewhere

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