chempirical

3-Bromo-2-methylbenzaldehyde

C8H7BrOCAS 83647-40-9199.05 g/mol

Open in Covalent MOL file
BrO
AldehydeAryl 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 Ų
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
83647-40-9
SMILES
CC1=C(C=CC=C1Br)C=O
InChIKey
HHVUFPUWPWOWOA-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO/c1-6-7(5-10)3-2-4-8(6)9/h2-5H,1H3

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Names and synonyms

1 names
  • 3- Bromo-2-methyl- benzaldehyde

Work with 3-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

2,3-Dimethylbenzaldehyde5779-93-162 % similar 2-Bromobenzaldehyde6630-33-759 % similar 3-Fluoro-2-methylbenzaldehyde147624-13-358 % similar 2,6-Dibromotoluene69321-60-456 % similar 3-Bromo-2-hydroxybenzaldehyde1829-34-155 % similar 2-Bromobenzene-1,3-dialdehyde79839-49-954 % similar 2-Methyl-3-(trifluoromethyl)benzaldehyde878001-20-853 % similar 2,6-Dibromobenzaldehyde67713-23-950 % 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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