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

C22H16Br2O2CAS 75714-59-9472.18 g/mol

Open in Covalent MOL file
OBrBrO
Aryl halideEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
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

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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

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