5-Bromo-2-methoxycinnamic acid

C₁₀H₉BrO₃CAS 40803-53-0257.08 g/mol

Open in Covalent MOL file

Alkene Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₉BrO₃
Molar mass: 257.08 g/mol
Exact mass: 255.9735 Da
logP: 2.56Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

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

40803-53-0

SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)O

InChIKey

QABZTGNRWBRJBO-GORDUTHDSA-N

InChI

InChI=1S/C10H9BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2+

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Names and synonyms

1 names

trans-5-Bromo-2-methoxycinnamic acid

Work with 5-Bromo-2-methoxycinnamic acid

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-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-973 % similar 2',5'-Dimethoxycinnamic acid161282-95-773 % similar 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-067 % similar trans-2-Methoxycinnamic acid1011-54-765 % similar 2-Methoxycinnamic acid6099-03-265 % similar 3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid33130-03-963 % similar 3-(5-Bromo-2-fluorophenyl)-2-propenoic acid202865-71-262 % similar (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-460 % similar

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

Same formula

2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one4629-54-3 1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one52190-28-0 1-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one59820-90-5 4-Bromo-γ-oxobenzenebutanoic acid6340-79-0

Elsewhere

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