[(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

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

PubChem CAS Common Chemistry NIST WebBook