5-Bromindoxyl acetate

C₁₀H₈BrNO₂CAS 17357-14-1254.08 g/mol

Open in Covalent MOL file

Aryl halide Ester

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4-Acetoxyindole5585-96-647 % similar 6-Bromo-4-hydroxyquinoline-3-carboxylic acid98948-95-946 % similar 5-Bromoindole-3-carboxaldehyde877-03-245 % similar Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate122794-99-445 % similar 6-Bromo-4-hydroxyquinoline145369-94-444 % 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 Methyl 4-bromo-1H-indole-6-carboxylate882679-96-1

Elsewhere

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