5-Bromo-2-methylbenzaldehyde

C₈H₇BrOCAS 90050-59-2199.05 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₇BrO
Molar mass: 199.05 g/mol
Exact mass: 197.9680 Da
logP: 2.57Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

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

Identifiers

CAS number

90050-59-2

SMILES

CC1=C(C=C(C=C1)Br)C=O

InChIKey

YILPAIKZHXATHY-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO/c1-6-2-3-8(9)4-7(6)5-10/h2-5H,1H3

Weigh it out

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Work with 5-Bromo-2-methylbenzaldehyde

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

2-Amino-5-bromobenzaldehyde29124-57-061 % similar 2,5-Dimethylbenzaldehyde5779-94-260 % similar 2,5-Dibromobenzaldehyde74553-29-060 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-758 % similar 5-Bromosalicylaldehyde1761-61-156 % similar 5-Bromosalicylaldehyde17691-61-156 % similar 5-Bromo-2-chlorobenzaldehyde189628-37-356 % similar 5-Fluoro-2-methylbenzaldehyde22062-53-956 % similar

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

Same formula

3-Bromoacetophenone2142-63-4 2′-Bromoacetophenone2142-69-0 4-Bromo-2-methylbenzaldehyde24078-12-4 3-Bromo-4-methyl benzaldehyde36276-24-1 4-(Bromomethyl)benzaldehyde51359-78-5 5-Bromo-2,3-dihydro-1-benzofuran66826-78-6 Phenacyl bromide70-11-1 3-(Bromomethyl)benzaldehyde82072-23-9

Elsewhere

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