α-Bromocinnamaldehyde

C₉H₇BrOCAS 5443-49-2211.06 g/mol

Open in Covalent MOL file

Aldehyde Alkene Vinyl halide

Properties

Molecular formula: C₉H₇BrO
Molar mass: 211.06 g/mol
Exact mass: 209.9680 Da
Melting point: 70.5 °C
logP: 2.62Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

5443-49-2

SMILES

O=CC(Br)=Cc1ccccc1

InChIKey

WQRWNOKNRHCLHV-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H

Weigh it out

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

Names and synonyms

12 names

2-Propenal, 2-bromo-3-phenyl-
Cinnamaldehyde, α-bromo-
2-Bromo-3-phenyl-2-propenal
B 37
Alphabrocine
α-Bromocinnamic aldehyde
2-Bromocinnamaldehyde
B 36
NSC 19806
2-Bromo-3-phenylacrolein
α-Bromocinnamal
2-Bromo-3-phenylacrylaldehyde

Work with α-Bromocinnamaldehyde

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

α-Methylcinnamaldehyde101-39-353 % similar Amylcinnamaldehyde122-40-742 % similar (2-Methyl-1-propen-1-yl)benzene768-49-041 % similar Hexyl cinnamaldehyde101-86-041 % similar Benzaldehyde100-52-741 % similar 3-(Phenylmethylene)-2,4-pentanedione4335-90-439 % similar Phenylglyoxal1074-12-039 % similar Benzylidenemalononitrile2700-22-339 % similar

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

Same formula

7-Bromo-2,3-dihydro-1H-inden-1-one125114-77-4 4-Bromo-1-indanone15115-60-3 5-Bromo-1-indanone34598-49-7

Elsewhere

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