2-Chloro-4-fluorocinnamic acid

C₉H₆ClFO₂CAS 133220-86-7200.59 g/mol

Open in Covalent MOL file

Alkene Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₆ClFO₂
Molar mass: 200.59 g/mol
Exact mass: 200.0040 Da
logP: 2.58Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

133220-86-7

SMILES

C1=CC(=C(C=C1F)Cl)/C=C/C(=O)O

InChIKey

RJCWBTRMWGOREZ-DUXPYHPUSA-N

InChI

InChI=1S/C9H6ClFO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+

Weigh it out

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

Work with 2-Chloro-4-fluorocinnamic 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

3-(2,4-Dichlorophenyl)-2-propenoic acid1201-99-670 % similar 2-Chlorocinnamic acid3752-25-867 % similar trans-2,5-Difluorocinnamic acid112898-33-663 % similar 3-(2-Bromo-5-fluorophenyl)-2-propenoic acid202865-70-160 % similar (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-658 % similar 3-(3-Fluorophenyl)-2-propenoic acid458-46-858 % similar trans-4-Fluorocinnamic acid14290-86-957 % similar 3-(4-Fluorophenyl)-2-propenoic acid459-32-557 % similar

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

Same formula

3-Chloro-4-fluorocinnamic acid155814-22-5 3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-8 (2E)-3-(4-Chloro-2-fluorophenyl)-2-propenoic acid312693-55-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook