chempirical

Ethyl 2-bromopropionate

C5H9BrO2CAS 535-11-5181.03 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEster

Properties

Molecular formula
C5H9BrO2
Molar mass
181.03 g/mol
Exact mass
179.9786 Da
Density
1.3823 g/mL (at 25 °C)
Melting point
below 25 °C
Boiling point
160 °C
logP
1.33Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
535-11-5
SMILES
CCOC(=O)C(C)Br
InChIKey
ARFLASKVLJTEJD-UHFFFAOYSA-N
InChI
InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3

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Names and synonyms

16 names · show all
  • Propanoic acid, 2-bromo-, ethyl ester
  • Propionic acid, 2-bromo-, ethyl ester
  • Propionic acid, α-bromo-, ethyl ester
  • Ethyl α-bromopropionate
  • 2-Bromopropionic acid ethyl ester
  • α-Bromopropionic acid ethyl ester
  • Ethyl 2-bromopropanoate
  • Ethyl α-bromopropanoate
  • 2-Bromopropanoic acid ethyl ester
  • (±)-2-Bromopropanoic acid ethyl ester
  • Ethyl dl-α-bromopropionate
  • Ethyl (±)-2-bromopropionate
  • Ethyl DL-2-bromopropionate
  • (±)-2-Bromopropionic acid ethyl ester
  • (±)-Ethyl α-bromopropionate
  • NSC 6753

Work with Ethyl 2-bromopropionate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-bromo-3-methylbutanoate609-12-160 % similar Ethyl isobutyrate97-62-159 % similar 1,6-Diethyl 2,5-dibromohexanedioate869-10-359 % similar Ethyl 2,3-dibromobutanoate609-11-058 % similar Ethyl bromofluoroacetate401-55-857 % similar Ethyl α-bromobutyrate533-68-657 % similar 1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-455 % similar Ethyl 2-bromo-2-cyclopropylacetate1200828-74-555 % similar

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

Same formula

Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-7 2-(2-Bromoethyl)-1,3-dioxolane18742-02-4 5-Bromopentanoic acid2067-33-6 Methyl 2-bromo-2-methylpropanoate23426-63-3 (2S)-2-Bromo-3-methylbutanoic acid26782-75-2 Isopropyl bromoacetate29921-57-1 Methyl 2-bromobutanoate3196-15-4 Methyl 4-bromobutyrate4897-84-1

Elsewhere

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