(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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

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

Weigh it out

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol65283-60-5

Similar compounds

1,6-Dibromo-2-naphthalenol16239-18-270 % similar 2,7-Dibromophenanthrene62325-30-862 % similar 4-Bromocatechol17345-77-654 % similar 2-Bromophenanthrene62162-97-452 % similar 2,6-Dibromonaphthalene13720-06-450 % similar 6-Bromo-2-naphthalenol15231-91-150 % similar (+)-BINOL18531-94-750 % similar (-)-Binol18531-99-250 % 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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