3-Bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonic acid

C₁₀H₁₅BrO₄SCAS 24262-38-2311.19 g/mol

Open in Covalent MOL file

Alkyl halide Ketone Sulfonic acid

Properties

Molecular formula: C₁₀H₁₅BrO₄S
Molar mass: 311.19 g/mol
Exact mass: 309.9874 Da
Melting point: 182–183 °C
logP: 1.64Crippen estimate
Polar surface area: 71.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

24262-38-2

SMILES

CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2Br

InChIKey

XUJHKPSBHDQIOD-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BrO4S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6-7H,3-5H2,1-2H3,(H,13,14,15)

Weigh it out

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

Names and synonyms

4 names

Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 3-bromo-7,7-dimethyl-2-oxo-
10-Bornanesulfonic acid, 3-bromo-2-oxo-
10-Camphorsulfonic acid, 3-bromo-
3-Bromo-10-camphorsulfonic acid

Work with 3-Bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonic acid

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

Ammonium d-α-bromocamphor-π-sulfonate14575-84-956 % similar Bicyclo[2.2.1]heptane-7-methanesulfonic acid, 2-bromo-4,7-dimethyl-3-oxo-, ammonium salt (1:1), (1R,2R,4S,7S)-55870-50-356 % similar (+)-3-Bromocamphor10293-06-851 % similar (1S,3R,4R)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one64474-54-051 % similar 3-Bromocamphor76-29-951 % similar (-)-Camphorsulfonic acid35963-20-351 % similar Camphorsulfonic acid5872-08-251 % similar Ecamsule92761-26-744 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook