chempirical

2-Chlorocinnamic acid

C9H7ClO2CAS 3752-25-8182.60 g/mol

Open in Covalent MOL file
OHOCl
AlkeneAryl halideCarboxylic acid

Properties

Molecular formula
C9H7ClO2
Molar mass
182.60 g/mol
Exact mass
182.0135 Da
Melting point
205 °C
logP
2.44Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
3752-25-8
SMILES
O=C(O)C=Cc1ccccc1Cl
InChIKey
KJRRTHHNKJBVBO-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)

Weigh it out

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

Names and synonyms

7 names
  • 2-Propenoic acid, 3-(2-chlorophenyl)-
  • Cinnamic acid, o-chloro-
  • 3-(2-Chlorophenyl)-2-propenoic acid
  • o-Chlorocinnamic acid
  • 3-(2-Chlorophenyl)propenoic acid
  • NSC 4792
  • 3-(2-Chlorophenyl)acrylic acid

Work with 2-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

3-(2,6-Dichlorophenyl)-2-propenoic acid5345-89-169 % similar 3-(2,4-Dichlorophenyl)-2-propenoic acid1201-99-669 % similar 2-Chloro-4-fluorocinnamic acid133220-86-767 % similar 3-(1-Naphthalenyl)-2-propenoic acid13026-12-563 % similar 2-Formylcinnamic acid130036-17-862 % similar O-Coumaric acid583-17-562 % similar O-Coumaric acid614-60-862 % similar 3-(2-Bromophenyl)-2-propenoic acid7499-56-162 % 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 4-Chlorocinnamic acid1615-02-7 3-(3-Chlorophenyl)-2-propenoic acid1866-38-2 6-Chloro-2,3-dihydro-4H-1-benzopyran-4-one37674-72-9

Elsewhere

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