4-Fluoro-7-hydroxy-1-indanone

C₉H₇FO₂CAS 136191-16-7166.15 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₉H₇FO₂
Molar mass: 166.15 g/mol
Exact mass: 166.0430 Da
logP: 1.66Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

136191-16-7

SMILES

C1CC(=O)C2=C(C=CC(=C21)F)O

InChIKey

SCUZCYGMCGKOPP-UHFFFAOYSA-N

InChI

InChI=1S/C9H7FO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2

Weigh it out

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

Names and synonyms

1 names

4-Fluoro-7-hydroxy-2,3-dihydro-1H-inden-1-one

Work with 4-Fluoro-7-hydroxy-1-indanone

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-Chloro-7-hydroxy-2,3-dihydroinden-1-one81945-10-062 % similar 4-Bromo-7-fluoro-2,3-dihydroinden-1-one1003048-72-354 % similar 4-Fluoro-1-indanone699-99-050 % similar 4-Hydroxyindan-1-one40731-98-446 % similar 7-Fluoroindan-1-one651735-59-046 % similar Phloretin60-82-243 % similar 4,6-Difluoro-2,3-dihydro-1H-inden-1-one162548-73-441 % similar 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Fluoro-4-chromanone113209-68-0 trans-4-Fluorocinnamic acid14290-86-9 (S)-5-Fluoro-3-methylisobenzofuran-1(3H)-one1803573-19-4 (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-6 2-Fluoro-3-phenyl-2-propenoic acid350-90-3 3-(2-Fluorophenyl)-2-propenoic acid451-69-4 3-(3-Fluorophenyl)-2-propenoic acid458-46-8 3-(4-Fluorophenyl)-2-propenoic acid459-32-5

Elsewhere

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