chempirical

7-Chloro-1,2,3,4-tetrahydronaphthalen-1-one

C10H9ClOCAS 26673-32-5180.63 g/mol

Open in Covalent MOL file
OCl
Aryl halideKetone

Properties

Molecular formula
C10H9ClO
Molar mass
180.63 g/mol
Exact mass
180.0342 Da
Melting point
98–99.5 °C
logP
2.86Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
26673-32-5
SMILES
O=C1CCCc2ccc(Cl)cc21
InChIKey
IIMAYXKDBHTQHC-UHFFFAOYSA-N
InChI
InChI=1S/C10H9ClO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2

Weigh it out

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

Names and synonyms

8 names
  • 7-Chloro-3,4-dihydro-1(2H)-naphthalenone
  • 1(2H)-Naphthalenone, 7-chloro-3,4-dihydro-
  • 7-Chloro-α-tetralone
  • 7-Chloro-1-tetralone
  • 7-Chloro-3,4-dihydro-2H-naphthalen-1-one
  • NSC 83813
  • 7-Chloro-1,2,3,4-tetrahydro-1-oxonaphthalene
  • 7-Chlorotetralin-1-one

Work with 7-Chloro-1,2,3,4-tetrahydronaphthalen-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

6-Chloro-1-indanone14548-38-081 % similar 7-Methyl-1-tetralone22009-37-661 % similar 3,4-Dihydro-7-hydroxy-1(2H)-naphthalenone22009-38-761 % similar 7-Fluoro-1-tetralone2840-44-061 % similar 7-Bromo-1-tetralone32281-97-361 % similar 7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one160129-45-361 % similar 5-Chloro-1-indanone42348-86-760 % similar 7-Methoxy-1-tetralone6836-19-756 % similar

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

Same formula

6-Chloro-2-tetralone17556-18-2 6-Chloro-1-tetralone26673-31-4 4-(4-Chlorophenyl)-3-buten-2-one3160-40-5 (4-Chlorophenyl)cyclopropylmethanone6640-25-1

Elsewhere

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