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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

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)

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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

Reactions

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

3-Hydroxycyclobutanecarboxylic acid194788-10-856 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-454 % similar 3-Aminocyclobutane-1-carboxylic acid74316-27-154 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-752 % similar Cyclopropanecarboxylic acid1759-53-152 % similar 1,4-Cyclohexanedicarboxylic acid619-81-852 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-952 % similar cis-1,3-Cyclohexanedicarboxylic acid2305-31-950 % 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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