chempirical

Bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride

C8H9ClOCAS 27063-48-5156.61 g/mol

Open in Covalent MOL file
OCl
Acyl halideAlkene

Properties

Molecular formula
C8H9ClO
Molar mass
156.61 g/mol
Exact mass
156.0342 Da
Boiling point
79–81 °C (at 12 Torr)
logP
1.96Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
27063-48-5
SMILES
O=C(Cl)C1CC2C=CC1C2
InChIKey
HXYXVFUUHSZSNV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2

Weigh it out

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

Names and synonyms

8 names
  • 5-Norbornene-2-carbonyl chloride
  • 2-Norbornene-5-carbonyl chloride
  • 5-Chloroformylbicyclo[2.2.1]hept-2-ene
  • 5-Chloroformylnorbornene
  • 2-Norbornene-5-carboxylic acid chloride
  • NSC 91503
  • (5-Bicyclo[2.2.1]hept-5-en-2-yl)carbonyl chloride
  • 5-Norbornene-2-formyl chloride

Work with Bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride

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

5-Norbornene-2-carboxylic acid120-74-157 % similar 1-Bicyclo[2.2.1]hept-5-en-2-ylethanone5063-03-657 % similar 1,1-Dimethylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate154970-45-347 % similar Bicyclo[2.2.1]hept-5-ene-2-carboxamide95-17-047 % similar Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde5453-80-541 % similar 5-Norbornen-2-yl acetate6143-29-939 % similar 5-Norbornen-2-ol13080-90-537 % similar Vinyl norbornene3048-64-437 % similar

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

Same formula

4-Chloro-2,6-dimethylphenol1123-63-3 (1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9

Elsewhere

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