4-Chlorocinnamic acid

C9H7ClO2CAS 1615-02-7182.60 g/mol

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OHOCl
AlkeneAryl halideCarboxylic acid

Properties

Molecular formula
C9H7ClO2
Molar mass
182.60 g/mol
Exact mass
182.0135 Da
Melting point
248 °C
logP
2.44Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1615-02-7
SMILES
O=C(O)C=Cc1ccc(Cl)cc1
InChIKey
GXLIFJYFGMHYDY-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)

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Names and synonyms

9 names
  • 2-Propenoic acid, 3-(4-chlorophenyl)-
  • Cinnamic acid, p-chloro-
  • 3-(4-Chlorophenyl)-2-propenoic acid
  • p-Chlorocinnamic acid
  • 3-(p-Chlorophenyl)acrylic acid
  • 3-(4-Chlorophenyl)propenoic acid
  • 3-(4-Chlorophenyl)acrylic acid
  • NSC 1509
  • NSC 2756

Work with 4-Chlorocinnamic 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 acid16323-43-677 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-265 % similar P-Coumaric acid501-98-465 % similar p-Coumaric acid7400-08-065 % similar (2E)-4-(4-Chlorophenyl)-4-oxo-2-butenoic acid6269-33-664 % similar Cinnamic acid140-10-363 % similar Cinnamic acid621-82-963 % similar 4-Bromocinnamic acid1200-07-363 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Chlorophenyl)-1,2-propanedione10557-21-8 (2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-6 3-(3-Chlorophenyl)-2-propenoic acid1866-38-2 2-Chlorocinnamic acid3752-25-8 6-Chlorochroman-4-one37674-72-9 2,3-Dihydro-1-benzofuran-5-carbonyl chloride55745-71-6 4-Chloro-7-hydroxy-2,3-dihydroinden-1-one81945-10-0

Elsewhere

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