5-Bromo-4-chloro-3-indolyl acetate

C10H7BrClNO2CAS 3252-36-6288.53 g/mol

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OONHBrCl
Aryl halideEster

Properties

Molecular formula
C10H7BrClNO2
Molar mass
288.53 g/mol
Exact mass
286.9349 Da
Melting point
106–107 °C
logP
3.51Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
3252-36-6
SMILES
CC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12
InChIKey
WPWLFFMSSOAORQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H7BrClNO2/c1-5(14)15-8-4-13-7-3-2-6(11)10(12)9(7)8/h2-4,13H,1H3

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Names and synonyms

7 names
  • 1H-Indol-3-ol, 5-bromo-4-chloro-, 3-acetate
  • Indol-3-ol, 5-bromo-4-chloro-, acetate (ester)
  • 1H-Indol-3-ol, 5-bromo-4-chloro-, acetate (ester)
  • Indol-3-ol, 5-bromo-4-chloro-, acetate
  • Indoxyl, 5-bromo-4-chloro-, acetate
  • 5-Bromo-4-chloroindoxyl acetate
  • 5-Bromo-4-chloro-3-indoxyl acetate

Work with 5-Bromo-4-chloro-3-indolyl acetate

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 phosphate disodium salt102185-33-155 % similar 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate3030-06-654 % similar 5-Bromindoxyl acetate17357-14-152 % similar Indoxyl acetate608-08-248 % similar 5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt6578-06-947 % similar Sodium 5-bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosiduronate (1:1)129541-41-947 % similar 5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-galactosaminide129572-48-146 % similar 5-Bromo-4-chloro-1H-indol-3-yl 2-deoxy-2-((1-hydroxyethylidene)amino)hexopyranoside4264-82-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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