Methyl 5-bromo-2-formylbenzoate

C₉H₇BrO₃CAS 1016163-89-5243.06 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ester

Properties

Molecular formula: C₉H₇BrO₃
Molar mass: 243.06 g/mol
Exact mass: 241.9579 Da
logP: 2.05Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

1016163-89-5

SMILES

COC(=O)C1=C(C=CC(=C1)Br)C=O

InChIKey

ZYGJVCDDZZSSEE-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrO3/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-5H,1H3

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Names and synonyms

1 names

Methyl 5-bromo-2-formylbenzoate, 98%

Work with Methyl 5-bromo-2-formylbenzoate

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-hydroxybenzoic acid methyl ester4068-76-264 % similar Methyl 2,5-dibromobenzoate57381-43-863 % similar Methyl 5-bromo-2-methylbenzoate79669-50-462 % similar Methyl 2-amino-5-bromobenzoate52727-57-860 % similar Methyl 2-amino-4-bromobenzoate135484-83-257 % similar Methyl 4-bromo-2-methoxybenzoate139102-34-456 % similar Methyl 4-bromo-2-(bromomethyl)benzoate78471-43-953 % similar Methyl 3-formyl-4-hydroxybenzoate24589-99-950 % similar

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

Same formula

5-(2-Bromoacetyl)-2-hydroxybenzaldehyde115787-50-3 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-1

Elsewhere

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