chempirical

5-Chlorodibenzosuberane

C15H13ClCAS 1210-33-9228.72 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C15H13Cl
Molar mass
228.72 g/mol
Exact mass
228.0706 Da
Melting point
105–107 °C
logP
4.11Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1210-33-9
SMILES
ClC1c2ccccc2CCc2ccccc21
InChIKey
QPERNSDCEUTOTE-UHFFFAOYSA-N
InChI
InChI=1S/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2

Weigh it out

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

Names and synonyms

7 names
  • 5H-Dibenzo[a,d]cycloheptene, 5-chloro-10,11-dihydro-
  • 5-Chlorodibenzo[a,d]cyclohepta[1,4]diene
  • 5-Chlorodibenzo[a,d]cycloheptane
  • NSC 86154
  • Dibenzosuberanyl chloride
  • 5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene
  • 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl chloride

Work with 5-Chlorodibenzosuberane

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

Dibenzosuberol1210-34-054 % similar 1-Chloro-1,2,3,4-tetrahydronaphthalene113110-47-752 % similar Benzocyclobutene694-87-148 % similar 1-Indanol6351-10-646 % similar (R)-(-)-1-Aminoindan10277-74-445 % similar (±)-1-Aminoindan34698-41-445 % similar 1-(10,11-Dihydro-5H-dibenzo[A,D]cyclohepten-5-yl)piperazine69159-50-844 % similar 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-542 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook