chempirical

[(1S)-Endo]-(-)-3-Bromocamphor

C10H15BrOCAS 64474-54-0231.13 g/mol

Open in Covalent MOL file
OBr
Alkyl halideKetone

Properties

Molecular formula
C10H15BrO
Molar mass
231.13 g/mol
Exact mass
230.0306 Da
logP
2.78Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0
Stereocentres
R, S, Rin SMILES atom order

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
64474-54-0
SMILES
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2Br
InChIKey
NJQADTYRAYFBJN-NYNCVSEMSA-N
InChI
InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • (1S,3R,4R)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
  • Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1S,3R,4R)-
  • Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1S-endo)-
  • d-Camphor, 3-bromo-, endo-
  • endo-3-Bromo-d-camphor
  • (-)-3-Bromocamphor

Work with [(1S)-Endo]-(-)-3-Bromocamphor

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-3-Bromocamphor10293-06-8Enantiomer 3-Bromocamphor76-29-9Stereo not defined

Similar compounds

3-Bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonic acid24262-38-251 % similar 3-Heptafluorobutyryl-(+)-camphor51800-99-851 % similar Ammonium d-α-bromocamphor-π-sulfonate14575-84-950 % similar Bicyclo[2.2.1]heptane-7-methanesulfonic acid, 2-bromo-4,7-dimethyl-3-oxo-, ammonium salt (1:1), (1R,2R,4S,7S)-55870-50-350 % similar (±)-Camphor21368-68-339 % similar (-)-Camphor464-48-239 % similar (+)-Camphor464-49-339 % similar Camphor76-22-239 % similar

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

Elsewhere

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