3,4-Dichlorocinnamic acid

C₉H₆Cl₂O₂CAS 1202-39-7217.05 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: 217.2–218.2 °C
logP: 3.09Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

1202-39-7

SMILES

O=C(O)C=Cc1ccc(Cl)c(Cl)c1

InChIKey

RRLUFPHCTSFKNR-UHFFFAOYSA-N

InChI

InChI=1S/C9H6Cl2O2/c10-7-3-1-6(5-8(7)11)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-(3,4-dichlorophenyl)-
Cinnamic acid, 3,4-dichloro-
3-(3,4-Dichlorophenyl)-2-propenoic acid
NSC 518800
3-(3,4-Dichlorophenyl)acrylic acid

Work with 3,4-Dichlorocinnamic 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

P-Phenylenediacrylic acid16323-43-663 % similar 4-Chlorocinnamic acid1615-02-762 % similar (2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-661 % similar 3-(3-Chlorophenyl)-2-propenoic acid1866-38-261 % similar (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-658 % similar Caffeic acid331-39-558 % similar 2-Chlorocinnamic acid3752-25-858 % similar 3-(3-Fluorophenyl)-2-propenoic acid458-46-858 % 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-(2,6-Dichlorophenyl)-2-propenoic acid5345-89-1

Elsewhere

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