3-Chloro-5-fluorobenzaldehyde

C7H4ClFOCAS 90390-49-1158.56 g/mol

Open in Covalent MOL file
FClO
AldehydeAryl halide

Properties

Molecular formula
C7H4ClFO
Molar mass
158.56 g/mol
Exact mass
157.9935 Da
logP
2.29Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 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
90390-49-1
SMILES
C1=C(C=C(C=C1F)Cl)C=O
InChIKey
QWBYWPJNPKGEBO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

Weigh it out

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

Work with 3-Chloro-5-fluorobenzaldehyde

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

3,5-Dichlorobenzaldehyde10203-08-468 % similar 3,5-Difluorobenzaldehyde32085-88-468 % similar 3,5-Difluorochlorobenzene1435-43-456 % similar 1,3-Dichloro-5-fluorobenzene1435-46-756 % similar 3-Fluorobenzaldehyde456-48-455 % similar 3-Bromo-5-fluorobenzaldehyde188813-02-755 % similar 3-Bromo-5-chlorobenzaldehyde188813-05-055 % similar 3-Fluoro-5-methylbenzaldehyde189628-39-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluorobenzoyl chloride1711-07-5 3-Chloro-4-fluorobenzaldehyde34328-61-5 2-Chloro-6-fluorobenzaldehyde387-45-1 2-Fluorobenzoyl chloride393-52-2 4-Fluorobenzoyl chloride403-43-0 4-Chloro-3-fluorobenzaldehyde5527-95-7 4-Chloro-2-fluorobenzaldehyde61072-56-8 2-Chloro-5-fluorobenzaldehyde84194-30-9

Elsewhere

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