5-Bromo-2-ethoxybenzaldehyde

C9H9BrO2CAS 79636-94-5229.07 g/mol

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OBrO
AldehydeAryl halideEther

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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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 5-Bromo-2-(trifluoromethoxy)benzaldehyde923281-52-156 % similar 3,4-Diethoxybenzaldehyde2029-94-953 % similar 5-Bromo-2-methylbenzaldehyde90050-59-251 % similar 4-Bromo-2-methoxybenzaldehyde43192-33-251 % similar 2,5-Dibromobenzaldehyde74553-29-050 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-848 % 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 4-bromo-3-methylbenzoate148547-19-7 Methyl 2-(3-bromophenyl)acetate150529-73-0 3-(2-Bromophenyl)propionic acid15115-58-9

Elsewhere

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