(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl

C₂₂H₁₆Br₂O₂CAS 75714-59-9472.18 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₂₂H₁₆Br₂O₂
Molar mass: 472.18 g/mol
Exact mass: 469.9517 Da
logP: 7.20Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

75714-59-9

SMILES

COC1=C(C2=CC=CC=C2C=C1Br)C3=C(C(=CC4=CC=CC=C43)Br)OC

InChIKey

DFTUKDIMHCCQIT-UHFFFAOYSA-N

InChI

InChI=1S/C22H16Br2O2/c1-25-21-17(23)11-13-7-3-5-9-15(13)19(21)20-16-10-6-4-8-14(16)12-18(24)22(20)26-2/h3-12H,1-2H3

Weigh it out

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

Names and synonyms

1 names

(R)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl

Work with (S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl

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

(S)-(-)-3,3'-Dibromo-1,1'-bi-2-naphthol111795-43-856 % similar 9-Bromophenanthrene573-17-155 % similar 1-Bromo-4-methoxynaphthalene5467-58-349 % similar 2,6-Dibromoanisole38603-09-748 % similar 2,2'-Dimethoxy-1,1'-binaphthyl35294-28-146 % similar (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthalene75640-87-846 % similar (R)-(+)-2,2'-Dimethoxy-1,1'-binaphthyl75685-01-746 % similar 2,4,6-Tribromoanisole607-99-845 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook