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

C8H4BrClNNa2O4PCAS 102185-33-1370.43 g/mol

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O−PO−OONHBrClNa+Na+
Aryl halidePhosphate

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
102185-33-1
SMILES
[O-]P([O-])(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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

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.

5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt6578-06-9Salt

Similar compounds

5-Bromo-4-chloro-3-indolyl acetate3252-36-655 % 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 beta-D-glucopyranoside15548-60-442 % similar X-Gal7240-90-642 % similar 1-Naphthyl disodium orthophosphate2183-17-740 % similar α-Neuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-, sodium salt (1:1)160369-85-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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