(R)-3-Bromo-8-camphorsulfonic acid | SBID = 98 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 79.8
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.2
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 4.0
3D Volume/Å3: 189.8
Sum Formula: C10H15BrO4S
M / g/mol: 311.19
Complexity: 440.0
Number of Conformers: 1.0

Identifiers

  • Tags: typical guest
  • Name: (R)-3-Bromo-8-camphorsulfonic acid
  • Preferred Abbreviation: (R)-3-Bromo-8-camphorsulfonic acid
  • IUPAC Name: [(1R,3S,4S,7R)-3-bromo-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]methanesulfonic acid
  • CAS: 5344-58-1
  • CID: 7057891
  • InChiKey: MFEDKMBNKNOUPA-GOZTYBTRSA-N
  • InChi: InChI=1S/C10H15BrO4S/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15/h6-7H,3-5H2,1-2H3,(H,13,14,15)/t6-,7+,9+,10-/m1/s1
  • CanoSmiles: CC12CCC(C1(C)CS(=O)(=O)O)C(C2=O)Br
  • IsoSmiles: C[C@@]12CC[C@@H]([C@@]1(C)CS(=O)(=O)O)[C@@H](C2=O)Br