chempirical

3-Chlorocyclobutane-1-carboxylic acid

C5H7ClO2CAS 35207-71-7134.56 g/mol

Open in Covalent MOL file
ClOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C5H7ClO2
Molar mass
134.56 g/mol
Exact mass
134.0135 Da
logP
1.09Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
35207-71-7
SMILES
C1C(CC1Cl)C(=O)O
InChIKey
UJPLLCVUUMDULO-UHFFFAOYSA-N
InChI
InChI=1S/C5H7ClO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H,7,8)

Weigh it out

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

Names and synonyms

9 names
  • 3-Chlorocyclobutanecarboxylic acid
  • trans-3-Chlorocyclobutanecarboxylic acid
  • trans-3-Chlorocyclobutane-1-carboxylic acid
  • Cyclobutanecarboxylic acid, 3-chloro-
  • cis-3-Chlorocyclobutanecarboxylic acid
  • 3-Chlorocyclobutanecarboxylic
  • 3-Chlorocyclobutane-1-carboxylicacid
  • trans-3-Chlorocyclobutanecarboxylicacid
  • 3-Chloro-cyclobutane-1-carboxylic acid

Work with 3-Chlorocyclobutane-1-carboxylic 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

1,3-Cyclopentanedicarboxylic acid4056-78-454 % similar 1,4-Cyclohexanedicarboxylic acid619-81-852 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-952 % similar 1,3-Cyclohexanedicarboxylic acid3971-31-150 % similar Cyclopentanecarboxylic acid3400-45-148 % similar Cyclobutanecarboxylic acid3721-95-748 % similar 3-Oxetanecarboxylic acid114012-41-846 % similar Cycloheptanecarboxylic acid1460-16-846 % similar

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

Same formula

3-Chloro-2,4-pentanedione1694-29-7 Chloroethyl acrylate2206-89-5 2-Propen-1-yl 2-chloroacetate2916-14-5 3-Ethoxy-2-propenoyl chloride6191-99-7

Elsewhere

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