chempirical

5-Bromindoxyl acetate

C10H8BrNO2CAS 17357-14-1254.08 g/mol

Open in Covalent MOL file
OONHBr
Aryl halideEster

Properties

Molecular formula
C10H8BrNO2
Molar mass
254.08 g/mol
Exact mass
252.9738 Da
Melting point
118–119 °C
logP
2.86Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
17357-14-1
SMILES
CC(=O)Oc1c[nH]c2ccc(Br)cc12
InChIKey
KFTGECHXNQBTNZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8BrNO2/c1-6(13)14-10-5-12-9-3-2-7(11)4-8(9)10/h2-5,12H,1H3

Weigh it out

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

Names and synonyms

7 names
  • 1H-Indol-3-ol, 5-bromo-, 3-acetate
  • Indol-3-ol, 5-bromo-, acetate (ester)
  • 1H-Indol-3-ol, 5-bromo-, acetate (ester)
  • Indol-3-ol, 5-bromo-, acetate
  • Indoxyl, 5-bromo-, acetate
  • 5-Bromoindoxyl acetate
  • 3-Acetoxy-5-bromoindole

Work with 5-Bromindoxyl 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

Indoxyl acetate608-08-263 % similar 5-Bromo-4-chloro-3-indolyl acetate3252-36-652 % similar 5-Bromo-1H-indole-3-carboxylic acid10406-06-150 % similar 5-Bromoindole-3-carboxaldehyde877-03-245 % similar Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-445 % similar 5-Bromo-1H-indole-3-butanoic acid13993-31-243 % similar 5-Bromo-1H-indole-3-ethanol32774-29-141 % similar 5-Bromo-dl-tryptophan6548-09-041 % similar

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

Same formula

Methyl 6-bromoindole-4-carboxylate107650-22-6 N-Acetyl-5-bromo-3-hydroxyindole114165-30-9 (5-Bromo-1H-indol-3-yl)acetic acid40432-84-6 N-(2-Bromoethyl)phthalimide574-98-1

Elsewhere

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