2-Bromo-5-(1,1-dimethylethyl)benzaldehyde

C₁₁H₁₃BrOCAS 875664-28-1241.13 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₁H₁₃BrO
Molar mass: 241.13 g/mol
Exact mass: 240.0150 Da
logP: 3.56Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

875664-28-1

SMILES

CC(C)(C)c1ccc(Br)c(C=O)c1

InChIKey

DWEWHEDCZHKXHK-UHFFFAOYSA-N

InChI

InChI=1S/C11H13BrO/c1-11(2,3)9-4-5-10(12)8(6-9)7-13/h4-7H,1-3H3

Weigh it out

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

Names and synonyms

2 names

Benzaldehyde, 2-bromo-5-(1,1-dimethylethyl)-
2-Bromo-5-tert-butylbenzaldehyde

Work with 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde

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-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-365 % similar 4-tert-Butyl-2-hydroxybenzaldehyde66232-34-657 % similar 2-Bromo-5-hydroxybenzaldehyde2973-80-051 % similar 2-Bromo-5-fluorobenzaldehyde94569-84-351 % similar 4-tert-Butylbenzaldehyde939-97-948 % similar 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-747 % similar 2-Bromo-4-(tert-butyl)aniline103273-01-447 % similar 2-Bromo-4-tert-butylphenol2198-66-547 % similar

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

Same formula

1-(4-Bromophenyl)-1-pentanone7295-44-5

Elsewhere

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