4-Chloro-3-fluorobenzaldehyde

C₇H₄ClFOCAS 5527-95-7158.56 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: 44–46 °C
logP: 2.29Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

5527-95-7

SMILES

O=Cc1ccc(Cl)c(F)c1

InChIKey

AZMDWRPTDCIFRD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzaldehyde, 4-chloro-3-fluoro-
3-Fluoro-4-chlorobenzaldehyde
4-Chloro-5-fluorobenzaldehyde

Work with 4-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

3,4-Difluorobenzaldehyde34036-07-264 % similar 3,4-Dichlorobenzaldehyde6287-38-364 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-656 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-556 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-656 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-056 % similar 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-656 % similar 1-Chloro-2,4-difluorobenzene1435-44-555 % 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 2-Chloro-4-fluorobenzaldehyde84194-36-5 3-Chloro-2-fluorobenzaldehyde85070-48-0

Elsewhere

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