5-Bromo-4-chloro-3-indolyl phosphate disodium salt

C₈H₄BrClNNa₂O₄PCAS 102185-33-1370.43 g/mol

Open in Covalent MOL file

Aryl halide Phosphate

Properties

Molecular formula: C₈H₄BrClNNa₂O₄P
Molar mass: 370.43 g/mol
Exact mass: 368.8545 Da
logP: 2.29Crippen estimate
Polar surface area: 82.5 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 2

Identifiers

CAS number

102185-33-1

SMILES

[O-]P([O-])(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12.[Na+].[Na+]

InChIKey

NHDSSFOCCPJFRE-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrClNO4P.2Na/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;;/h1-3,11H,(H2,12,13,14);;

Weigh it out

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

Names and synonyms

2 names

1H-Indol-3-ol, 5-bromo-4-chloro-, 3-(dihydrogen phosphate), sodium salt (1:2)
1H-Indol-3-ol, 5-bromo-4-chloro-, dihydrogen phosphate (ester), disodium salt

Work with 5-Bromo-4-chloro-3-indolyl phosphate disodium salt

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

5-Bromo-4-chloro-3-indolyl acetate3252-36-655 % similar 5-Bromo-4-chloro-3-indolyl phosphate P-toluidine salt6578-06-953 % similar Sodium 5-bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosiduronate (1:1)129541-41-949 % similar X-Alpha-Gal107021-38-542 % similar 5-Bromo-4-chloro-1H-indol-3-yl alpha-D-glucopyranoside108789-36-242 % similar 5-Bromo-4-chloro-3-indolyl β-D-glucopyranoside15548-60-442 % similar X-Gal7240-90-642 % similar 1-Naphthyl disodium orthophosphate2183-17-740 % similar

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

Elsewhere

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