3-(2,6-Dichlorophenyl)-2-propenoic acid

C₉H₆Cl₂O₂CAS 5345-89-1217.05 g/mol

Open in Covalent MOL file

Alkene Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₆Cl₂O₂
Molar mass: 217.05 g/mol
Exact mass: 215.9745 Da
Melting point: 192–193 °C
logP: 3.09Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

5345-89-1

SMILES

O=C(O)C=Cc1c(Cl)cccc1Cl

InChIKey

OIPVGRCXMFBNAN-UHFFFAOYSA-N

InChI

InChI=1S/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)

Weigh it out

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

Names and synonyms

4 names

2-Propenoic acid, 3-(2,6-dichlorophenyl)-
Cinnamic acid, 2,6-dichloro-
2,6-Dichlorocinnamic acid
NSC 1762

Work with 3-(2,6-Dichlorophenyl)-2-propenoic acid

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

2-Chlorocinnamic acid3752-25-869 % similar trans-2,6-Difluorocinnamic acid102082-89-361 % similar (2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-657 % similar 3-(3-Chlorophenyl)-2-propenoic acid1866-38-257 % similar 2-Chloro-4-fluorocinnamic acid133220-86-757 % similar (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-654 % similar 3-(3-Fluorophenyl)-2-propenoic acid458-46-854 % similar P-Phenylenediacrylic acid16323-43-653 % similar

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

Same formula

3-(2,4-Dichlorophenyl)-2-propenoic acid1201-99-6 3,4-Dichlorocinnamic acid1202-39-7

Elsewhere

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