N-Acetyl-5-bromo-3-hydroxyindole

C₁₀H₈BrNO₂CAS 114165-30-9254.08 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₁₀H₈BrNO₂
Molar mass: 254.08 g/mol
Exact mass: 252.9738 Da
logP: 2.77Crippen estimate
Polar surface area: 42.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

114165-30-9

SMILES

CC(=O)N1C=C(C2=C1C=CC(=C2)Br)O

InChIKey

WOLVOYIZHIXSSE-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3

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

Names and synonyms

1 names

1-Acetyl-5-bromo-3-hydroxyindole

Work with N-Acetyl-5-bromo-3-hydroxyindole

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

1-(3-Hydroxy-1H-indol-1-yl)ethanone33025-60-464 % similar 1-Acetylindole-3-carboxaldehyde22948-94-344 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-544 % similar 5-Bromosalicylic acid89-55-442 % similar 1,1′-(1H-Indole-1,3-diyl)bis[ethanone]17537-64-341 % similar 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-238 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-338 % similar 7-Bromo-3-hydroxy-2-naphthalenecarboxylic acid1779-11-938 % similar

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

Same formula

Methyl 6-bromoindole-4-carboxylate107650-22-6 5-Bromindoxyl acetate17357-14-1 (5-Bromo-1H-indol-3-yl)acetic acid40432-84-6 N-(2-Bromoethyl)phthalimide574-98-1

Elsewhere

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