3-Chloro-4-fluorobenzaldehyde

C₇H₄ClFOCAS 34328-61-5158.56 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄ClFO
Molar mass: 158.56 g/mol
Exact mass: 157.9935 Da
Melting point: 83–85 °C
logP: 2.29Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

34328-61-5

SMILES

O=Cc1ccc(F)c(Cl)c1

InChIKey

GVORVQPNNSASDM-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H

Weigh it out

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

Names and synonyms

2 names

Benzaldehyde, 3-chloro-4-fluoro-
4-Fluoro-3-chlorobenzaldehyde

Work with 3-Chloro-4-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

3,4-Difluorobenzaldehyde34036-07-264 % similar 3,4-Dichlorobenzaldehyde6287-38-364 % similar 4-Bromo-3-chlorobenzaldehyde120077-69-256 % similar 3-Chloro-4-hydroxybenzaldehyde2420-16-856 % similar 3-Bromo-4-fluorobenzaldehyde77771-02-956 % similar 4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-053 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-652 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-552 % similar

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

Same formula

3-Fluorobenzoyl chloride1711-07-5 2-Chloro-6-fluorobenzaldehyde387-45-1 2-Fluorobenzoyl chloride393-52-2 4-Fluorobenzoyl chloride403-43-0 4-Chloro-3-fluorobenzaldehyde5527-95-7 2-Chloro-4-fluorobenzaldehyde84194-36-5 3-Chloro-2-fluorobenzaldehyde85070-48-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook