chempirical

5-Bromoisophthalaldehyde

C8H5BrO2CAS 120173-41-3213.03 g/mol

Open in Covalent MOL file
OBrO
AldehydeAryl halide

Properties

Molecular formula
C8H5BrO2
Molar mass
213.03 g/mol
Exact mass
211.9473 Da
logP
2.07Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
120173-41-3
SMILES
C1=C(C=C(C=C1C=O)Br)C=O
InChIKey
QAQOLRCTTDVBAK-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-5H

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Names and synonyms

1 names
  • 5-Bromobenzene-1,3-dicarbaldehyde

Work with 5-Bromoisophthalaldehyde

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

3,5-Dibromobenzaldehyde56990-02-489 % similar 3-Bromo-5-chlorobenzaldehyde188813-05-068 % similar 4-Bromobenzaldehyde1122-91-464 % similar 3-Bromo-5-methoxybenzaldehyde262450-65-761 % similar 3-Bromobenzaldehyde3132-99-860 % similar 5-Bromo-3-pyridinecarboxaldehyde113118-81-358 % similar 3,5-Dihydroxybenzaldehyde26153-38-850 % similar 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-548 % similar

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

Same formula

5-Bromophthalide64169-34-2 3-Bromophthalide6940-49-4

Elsewhere

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