chempirical

6-Chlorochroman-4-one

C9H7ClO2CAS 37674-72-9182.60 g/mol

Open in Covalent MOL file
OOCl
Aryl halideEtherKetone

Properties

Molecular formula
C9H7ClO2
Molar mass
182.60 g/mol
Exact mass
182.0135 Da
Melting point
99–101 °C
logP
2.31Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
37674-72-9
SMILES
O=C1CCOc2ccc(Cl)cc21
InChIKey
LLTDYHFVIVSQPJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2

Weigh it out

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

Names and synonyms

5 names
  • 6-Chloro-2,3-dihydro-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-
  • 4-Chromanone, 6-chloro-
  • 6-Chloro-4-chromanone
  • NSC 26783

Work with 6-Chlorochroman-4-one

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

5-Chloro-benzofuran-3-one3261-05-076 % similar 6-Bromo-2,3-dihydro-4H-chromen-4-one49660-57-364 % similar 6-Methyl-4-chromanone39513-75-262 % similar 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-062 % similar 6-Methoxy-4-chromanone5802-17-559 % similar Chromanone491-37-257 % similar 6-Chloro-benzofuran-3-one3260-78-457 % similar 6-Nitrochroman-4-one68043-53-855 % 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 2-Chlorocinnamic acid3752-25-8 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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