chempirical

2-Chloro-6-fluorobenzaldehyde

C7H4ClFOCAS 387-45-1158.56 g/mol

Open in Covalent MOL file
OFCl
AldehydeAryl halide

Properties

Molecular formula
C7H4ClFO
Molar mass
158.56 g/mol
Exact mass
157.9935 Da
Melting point
38.5 °C
Boiling point
104–105 °C
logP
2.29Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
387-45-1
SMILES
O=Cc1c(F)cccc1Cl
InChIKey
OACPOWYLLGHGCR-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H

Weigh it out

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

Names and synonyms

3 names
  • Benzaldehyde, 2-chloro-6-fluoro-
  • 2-Fluoro-6-chlorobenzaldehyde
  • 6-Chloro-2-fluorobenzaldehyde

Work with 2-Chloro-6-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Difluorobenzaldehyde437-81-072 % similar 2,6-Dichlorobenzaldehyde83-38-568 % similar 2-Chloro-3,6-difluorobenzaldehyde261762-39-462 % similar 2-Fluoro-6-methylbenzaldehyde117752-04-258 % similar 2-Chloro-6-methylbenzaldehyde1194-64-555 % similar 2-Chloro-6-fluorobenzaldehyde oxime443-33-455 % similar 2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-253 % similar B-(3-Fluoro-2-formylphenyl)boronic acid871126-15-753 % 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-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

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