(S)-(+)-6,6'-Dibromo-1,1'-bi-2-naphthol

C₂₀H₁₂Br₂O₂CAS 13185-00-7444.12 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₂₀H₁₂Br₂O₂
Molar mass: 444.12 g/mol
Exact mass: 441.9204 Da
logP: 6.60Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

13185-00-7

SMILES

C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)Br)O)O)C=C1Br

InChIKey

OORIFUHRGQKYEV-UHFFFAOYSA-N

InChI

InChI=1S/C20H12Br2O2/c21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h1-10,23-24H

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Names and synonyms

1 names

(R)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol

Work with (S)-(+)-6,6'-Dibromo-1,1'-bi-2-naphthol

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

1,6-Dibromo-2-naphthalenol16239-18-270 % similar 4-Bromocatechol17345-77-654 % similar (+)-Binol18531-94-750 % similar (-)-Binol18531-99-250 % similar 1,1′-Bi-2-naphthol602-09-550 % similar 2,4-Dibromophenol615-58-750 % similar 2-Bromo-7-hydroxynaphthalene116230-30-948 % similar 4-Bromo-2-chlorophenol3964-56-548 % similar

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

Same formula

(S)-(-)-3,3'-Dibromo-1,1'-bi-2-naphthol111795-43-8

Elsewhere

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