2,6-Difluoro-4-methoxybenzaldehyde

C₈H₆F₂O₂CAS 256417-10-4172.13 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₆F₂O₂
Molar mass: 172.13 g/mol
Exact mass: 172.0336 Da
logP: 1.79Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

256417-10-4

SMILES

COC1=CC(=C(C(=C1)F)C=O)F

InChIKey

ZYABCGOTMDPUDD-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3

Weigh it out

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

Work with 2,6-Difluoro-4-methoxybenzaldehyde

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-Fluoro-4-methoxybenzaldehyde331-64-666 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-361 % similar 2,4,6-Trimethoxybenzaldehyde830-79-560 % similar 2,4,6-Trifluorobenzaldehyde58551-83-055 % similar 1,2-Difluoro-4-methoxybenzene115144-40-653 % similar 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-052 % similar 2,6-Difluoro-4-hydroxybenzaldehyde532967-21-852 % similar 2-Fluoro-6-methoxybenzaldehyde146137-74-851 % similar

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

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 3,5-Difluorophenylacetic acid105184-38-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 Methyl 2,6-difluorobenzoate13671-00-6 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one140675-42-9 2,3-Difluorobenzeneacetic acid145689-41-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook