chempirical

trans-1-Bromopropene

C3H5BrCAS 590-15-8120.98 g/mol

Open in Covalent MOL file
Br
AlkeneVinyl halide

Properties

Molecular formula
C3H5Br
Molar mass
120.98 g/mol
Exact mass
119.9575 Da
Density
1.4062 g/mL (at 25 °C)
Boiling point
59–60 °C (at 755 Torr)
logP
1.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
590-15-8
SMILES
C/C=C/Br
InChIKey
NNQDMQVWOWCVEM-NSCUHMNNSA-N
InChI
InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3/b3-2+

Weigh it out

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

Names and synonyms

11 names
  • 1-Propene, 1-bromo-, (1E)-
  • Propene, 1-bromo-, (E)-
  • 1-Propene, 1-bromo-, (E)-
  • Propene, 1-bromo-, trans-
  • trans-1-Bromo-1-propene
  • (E)-1-Bromo-1-propylene
  • (E)-1-Bromo-1-propene
  • (E)-1-Propenyl bromide
  • (E)-1-Bromopropene
  • 1-Bromo-(1E)-propene
  • (E)-1-Bromoprop-1-ene

Work with trans-1-Bromopropene

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

1,2-Dibromoethene540-49-845 % similar But-2-ene107-01-736 % similar cis-2-Butene590-18-136 % similar trans-2-Butene624-64-636 % similar Trans,trans-2,4-hexadiene5194-51-431 % similar 2,4-Hexadiene592-46-131 % similar

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

Same formula

Allyl bromide106-95-6 Bromocyclopropane4333-56-6 2-Bromopropene557-93-7

Elsewhere

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