(S)-(-)-3,3'-Dibromo-1,1'-bi-2-naphthol

C₂₀H₁₂Br₂O₂CAS 111795-43-8444.12 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 irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H400 Very toxic to aquatic life66.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

111795-43-8

SMILES

C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)Br)O)O)Br

InChIKey

BRTBEAXHUYEXSY-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

(R)-3,3'-Dibromo-1,1'-bi-2-naphthol

Work with (S)-(-)-3,3'-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

9-Bromophenanthrene573-17-161 % similar (S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl75714-59-956 % similar 2-Bromo-1-naphthol771-15-355 % similar 4-Bromonaphthalen-2-ol5498-31-753 % similar 2,2'-Dibromo-1,1'-binaphthyl74866-28-750 % similar 4-Bromonaphthalen-1-ol571-57-348 % similar 9,9′-Bianthryl1055-23-848 % similar 2,3-Dibromonaphthalene13214-70-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-(+)-6,6'-Dibromo-1,1'-bi-2-naphthol13185-00-7 (R)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol65283-60-5

Elsewhere

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