4'-Chloro-3'-fluoroacetophenone

C₈H₆ClFOCAS 151945-84-5172.58 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₆ClFO
Molar mass: 172.58 g/mol
Exact mass: 172.0091 Da
logP: 2.68Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 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

151945-84-5

SMILES

CC(=O)C1=CC(=C(C=C1)Cl)F

InChIKey

ATZHNDSADJDUPJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClFO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

4-Chloro-3-fluoroacetophenone

Work with 4'-Chloro-3'-fluoroacetophenone

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′,4′-Dichloroacetophenone2642-63-968 % similar 1-(3,4-Difluorophenyl)ethanone369-33-568 % similar 1-(4-Chloro-3-methylphenyl)ethanone37074-39-862 % similar 4'-Chloro-2',5'-difluoroacetophenone655-12-962 % similar 2′,4′-Dichloro-5′-fluoroacetophenone704-10-962 % similar 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-660 % similar 1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one403-14-560 % similar 4-Chloro-3-fluorobenzoic acid403-17-860 % similar

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

Same formula

2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-2 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-1 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-8 5-Fluoro-2-methylbenzoyl chloride21900-39-0 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-7 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-2 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-4 2-Fluorobenzeneacetyl chloride451-81-0

Elsewhere

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