(2E)-3-(3-Chlorophenyl)-2-propenal

C₉H₇ClOCAS 56578-37-1166.60 g/mol

Open in Covalent MOL file

Aldehyde Halogen

Properties

Molecular formula: C₉H₇ClO
Molar mass: 166.60 g/mol
Exact mass: 166.0185 Da
Melting point: 39 °C
Boiling point: 106–120 °C (at 0.5 Torr)
logP: 2.55Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

56578-37-1

SMILES

O=C/C=C/c1cccc(Cl)c1

InChIKey

GTQLBYROWRZDHS-DUXPYHPUSA-N

InChI

InChI=1S/C9H7ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+

Weigh it out

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

Names and synonyms

8 names

2-Propenal, 3-(3-chlorophenyl)-, (2E)-
2-Propenal, 3-(3-chlorophenyl)-, (E)-
(E)-m-Chlorocinnamaldehyde
E-3-Chlorocinnamaldehyde
trans-m-Chlorocinnamaldehyde
trans-3-Chlorocinnamaldehyde
(E)-3-(3-Chlorophenyl)acrylaldehyde
(E)-3-(3-Chlorophenyl)acrolein

Work with (2E)-3-(3-Chlorophenyl)-2-propenal

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

Same formula

Cinnamoyl chloride102-92-1 4-Chloroindan-1-one15115-59-0 7-Chloro-2,3-dihydro-1H-inden-1-one34911-25-6 5-Chloro-1-indanone42348-86-7

Elsewhere

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