2-Amino-4-bromobenzaldehyde

C₇H₆BrNOCAS 59278-65-8200.03 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Primary amine

Properties

Molecular formula: C₇H₆BrNO
Molar mass: 200.03 g/mol
Exact mass: 198.9633 Da
logP: 1.84Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
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

59278-65-8

SMILES

C1=CC(=C(C=C1Br)N)C=O

InChIKey

ZZVUOSVSPAPBEJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H,9H2

Weigh it out

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

Work with 2-Amino-4-bromobenzaldehyde

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

4-Bromo-2-hydroxybenzaldehyde22532-62-358 % similar 4-Bromo-2-chlorobenzaldehyde158435-41-756 % similar 5-Bromosalicylaldehyde1761-61-156 % similar 5-Bromosalicylaldehyde17691-61-156 % similar 4-Bromo-2-methylbenzaldehyde24078-12-456 % similar 4-Bromo-2-fluorobenzaldehyde57848-46-156 % similar 4-Bromo-2-methoxybenzaldehyde43192-33-256 % similar 2,5-Dibromobenzaldehyde74553-29-055 % similar

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

Same formula

1-(3-Bromopyridin-4-yl)ethanone111043-06-2 1-(6-Bromo-pyridin-3-yl)-ethanone139042-59-4 1-(5-Bromopyridin-2-yl)ethan-1-one214701-49-2 3-Bromobenzamide22726-00-7 2-Amino-5-bromobenzaldehyde29124-57-0 2-Bromobenzaldoxime34158-72-0 3-Acetyl-5-bromopyridine38940-62-4 2-Bromobenzamide4001-73-4

Elsewhere

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