chempirical

Ethyl 4-bromomethylcinnamate

C12H13BrO2CAS 60682-98-6269.14 g/mol

Open in Covalent MOL file
OOBr
AlkeneAlkyl halideEster

Properties

Molecular formula
C12H13BrO2
Molar mass
269.14 g/mol
Exact mass
268.0099 Da
logP
3.16Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4
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
60682-98-6
SMILES
CCOC(=O)/C=C/C1=CC=C(C=C1)CBr
InChIKey
ZIRVAUOPXCOSFU-BQYQJAHWSA-N
InChI
InChI=1S/C12H13BrO2/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-8H,2,9H2,1H3/b8-7+

Weigh it out

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

Work with Ethyl 4-bromomethylcinnamate

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

Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate946-99-669 % similar Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-067 % similar Ethyl cinnamate103-36-666 % similar Ethyl 3-(4-fluorophenyl)acrylate352-03-465 % similar Ethyl 3-(4-aminophenyl)-2-propenoate5048-82-865 % similar Ethyl (E)-4-methoxycinnamate24393-56-463 % similar Ethyl 3-(4-nitrophenyl)-2-propenoate953-26-458 % similar Ethyl caffeate102-37-457 % similar

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

Elsewhere

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