chempirical

2-Chloro-3-fluorobenzaldehyde

C7H4ClFOCAS 96516-31-3158.56 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
96516-31-3
SMILES
C1=CC(=C(C(=C1)F)Cl)C=O
InChIKey
PIZVRLVKXWEMGO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H

Weigh it out

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

Work with 2-Chloro-3-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

2-Fluorobenzaldehyde446-52-663 % similar 2-Chloro-3,6-difluorobenzaldehyde261762-39-462 % similar 2,3-Difluorobenzaldehyde2646-91-562 % similar 3-Chloro-2,4-difluorobenzaldehyde127675-46-161 % similar 2,3-Dichlorobenzaldehyde6334-18-559 % similar 3-Fluoro-2-methylbenzaldehyde147624-13-358 % similar 3-Fluorosalicylaldehyde394-50-358 % similar 2-Bromo-3-fluorobenzaldehyde891180-59-958 % 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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