chempirical

2,6-Dichloro-3,5-dimethoxyaniline

C8H9Cl2NO2CAS 872509-56-3222.06 g/mol

Open in Covalent MOL file
OClNH2ClO
Aryl halideEtherPrimary amine

Properties

Molecular formula
C8H9Cl2NO2
Molar mass
222.06 g/mol
Exact mass
221.0010 Da
logP
2.59Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
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
872509-56-3
SMILES
COC1=CC(=C(C(=C1Cl)N)Cl)OC
InChIKey
LCQFHEIDCMPNAN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl2NO2/c1-12-4-3-5(13-2)7(10)8(11)6(4)9/h3H,11H2,1-2H3

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Work with 2,6-Dichloro-3,5-dimethoxyaniline

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

2,6-Dimethoxyaniline2734-70-552 % similar 2-Chloro-3-methoxyaniline113206-03-450 % similar 5-Chloro-2,4-dimethoxyaniline97-50-750 % similar 2,4-Dichloro-3-isocyanato-1,5-dimethoxybenzene872511-32-547 % similar 2,3-Dichloroanisole1984-59-447 % similar 2,6-Dichloro-4-methoxyaniline6480-66-647 % similar 2-Chloro-3-methoxyaniline hydrochloride85893-87-445 % similar 4-Chloro-2,5-dimethoxyaniline6358-64-145 % similar

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

Elsewhere

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