chempirical

Ethyl 2,3-dibromo-3-phenylpropionate

C11H12Br2O2CAS 5464-70-0336.02 g/mol

Open in Covalent MOL file
OOBrBr
Alkyl halideEster

Properties

Molecular formula
C11H12Br2O2
Molar mass
336.02 g/mol
Exact mass
333.9204 Da
logP
3.45Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

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
5464-70-0
SMILES
CCOC(=O)C(C(C1=CC=CC=C1)Br)Br
InChIKey
CCYOCUPSKJUNMD-UHFFFAOYSA-N
InChI
InChI=1S/C11H12Br2O2/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

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Names and synonyms

1 names
  • Ethyl 2,3-dibromo-3-phenylpropanoate

Work with Ethyl 2,3-dibromo-3-phenylpropionate

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

Ethyl α-bromobenzeneacetate2882-19-166 % similar Diethyl phenylmalonate83-13-662 % similar Ethyl α-chlorobenzeneacetate4773-33-559 % similar (-)-Ethyl mandelate10606-72-157 % similar L-(+)-Mandelic acid ethyl ester13704-09-157 % similar (±)-Ethyl mandelate4358-88-757 % similar (±)-Ethyl mandelate774-40-357 % similar Ethyl 3-phenylglycidate121-39-156 % similar

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

Elsewhere

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