5-Bromo-2-ethoxybenzaldehyde

C₉H₉BrO₂CAS 79636-94-5229.07 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₉H₉BrO₂
Molar mass: 229.07 g/mol
Exact mass: 227.9786 Da
logP: 2.66Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

79636-94-5

SMILES

CCOc1ccc(Br)cc1C=O

InChIKey

NFCBVQSSJAXEJD-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO2/c1-2-12-9-4-3-8(10)5-7(9)6-11/h3-6H,2H2,1H3

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

Names and synonyms

2 names

Benzaldehyde, 5-bromo-2-ethoxy-
NSC 157341

Work with 5-Bromo-2-ethoxybenzaldehyde

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-2-methoxybenzaldehyde25016-01-766 % similar 2-Ethoxybenzaldehyde613-69-458 % similar 3,4-Diethoxybenzaldehyde2029-94-953 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-848 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-248 % similar 3-Ethoxysalicylaldehyde492-88-648 % similar 5-Bromosalicylaldehyde1761-61-147 % similar 5-Bromo-2-chlorobenzaldehyde189628-37-347 % similar

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

Same formula

Methyl 3-bromo-4-methylbenzoate104901-43-1 2-(4-Bromophenyl)-1,3-dioxolane10602-01-4 Methyl 3-(bromomethyl)benzoate1129-28-8 Methyl 2-bromo-3-methylbenzoate131001-86-0 4-(Bromomethyl)phenylacetic acid13737-36-5 Methyl 2-(3-bromophenyl)acetate150529-73-0 3-(4-Bromophenyl)propionic acid1643-30-7 2-(3-Bromophenyl)-1,3-dioxolane17789-14-9

Elsewhere

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