1,4-Difluoroanthraquinone

C₁₄H₆F₂O₂CAS 28736-42-7244.20 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₆F₂O₂
Molar mass: 244.20 g/mol
Exact mass: 244.0336 Da
logP: 2.74Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

28736-42-7

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)F)F

InChIKey

DTNCXQHDOJRTCD-UHFFFAOYSA-N

InChI

InChI=1S/C14H6F2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H

Weigh it out

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

Work with 1,4-Difluoroanthraquinone

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

Anthraquinone84-65-157 % similar 2-Fluorobenzophenone342-24-553 % similar (2,6-Difluorophenyl)phenylmethanone59189-51-453 % similar Disperse violet 1128-95-052 % similar 1,4-Dichloroanthraquinone602-25-552 % similar 1,4-Dihydroxyanthraquinone81-64-152 % similar Bianthrone434-85-550 % similar 2,4′-Difluorobenzophenone342-25-648 % similar

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

Elsewhere

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