3-(2,4-Dichlorophenyl)-2-propenoic acid

C₉H₆Cl₂O₂CAS 1201-99-6217.05 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: 235–236 °C
logP: 3.09Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

1201-99-6

SMILES

O=C(O)C=Cc1ccc(Cl)cc1Cl

InChIKey

MEBWABJHRAYGFW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

2-Propenoic acid, 3-(2,4-dichlorophenyl)-
Cinnamic acid, 2,4-dichloro-
2,4-Dichlorocinnamic acid
NSC 2076
3-(2,4-Dichlorophenyl)acrylic acid

Work with 3-(2,4-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-Chloro-4-fluorocinnamic acid133220-86-770 % similar 2-Chlorocinnamic acid3752-25-869 % similar 3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-868 % similar (2E)-3-(4-Chloro-2-fluorophenyl)-2-propenoic acid312693-55-368 % similar 4-Chlorocinnamic acid1615-02-758 % similar (2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-658 % similar 3-(3-Chlorophenyl)-2-propenoic acid1866-38-258 % similar 2,4-Dichlorobenzaldehyde874-42-050 % similar

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

Same formula

3,4-Dichlorocinnamic acid1202-39-7 3-(2,6-Dichlorophenyl)-2-propenoic acid5345-89-1

Elsewhere

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