(4-Chlorophenyl)cyclopropylmethanone

C10H9ClOCAS 6640-25-1180.63 g/mol

Open in Covalent MOL file
OCl
Aryl halideKetone

Properties

Molecular formula
C10H9ClO
Molar mass
180.63 g/mol
Exact mass
180.0342 Da
Melting point
23–24 °C
Boiling point
132–133 °C (at 10 Torr)
logP
2.93Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6640-25-1
SMILES
O=C(c1ccc(Cl)cc1)C1CC1
InChIKey
OPSFCTBBDIDFJM-UHFFFAOYSA-N
InChI
InChI=1S/C10H9ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2

Weigh it out

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

Names and synonyms

7 names
  • Methanone, (4-chlorophenyl)cyclopropyl-
  • Ketone, p-chlorophenyl cyclopropyl
  • p-Chlorophenyl cyclopropyl ketone
  • 4-Chlorophenyl cyclopropyl ketone
  • (p-Chlorobenzoyl)cyclopropane
  • Cyclopropyl 4-chlorophenyl ketone
  • NSC 49315

Work with (4-Chlorophenyl)cyclopropylmethanone

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

4-(4-Chlorobenzoyl)piperidine53220-41-077 % similar 4-(4-Chlorobenzoyl)piperidine hydrochloride55695-51-770 % similar Benzoylcyclopropane3481-02-561 % similar (4-Bromophenyl)cyclopropylmethanone6952-89-260 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-660 % similar 2-Bromo-1-(4-chlorophenyl)-1-propanone877-37-256 % similar Cyclopropyl(4-methoxyphenyl)methanone7152-03-655 % similar Cyclobutyl phenyl ketone5407-98-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-2-tetralone17556-18-2 6-Chloro-1-tetralone26673-31-4 7-Chloro-1,2,3,4-tetrahydronaphthalen-1-one26673-32-5 4-(4-Chlorophenyl)-3-buten-2-one3160-40-5

Elsewhere

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