1-Chloro-2,4-dimethoxybenzene

C8H9ClO2CAS 7051-13-0172.61 g/mol

Open in Covalent MOL file
OClO
Aryl halideEther

Properties

Molecular formula
C8H9ClO2
Molar mass
172.61 g/mol
Exact mass
172.0291 Da
logP
2.36Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7051-13-0
SMILES
COC1=CC(=C(C=C1)Cl)OC
InChIKey
OACCRGFGCIQFNR-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3

Weigh it out

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

Work with 1-Chloro-2,4-dimethoxybenzene

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

1,2-Dichloro-4-methoxybenzene36404-30-569 % similar 1-Chloro-4-methoxy-2-methylbenzene13334-71-964 % similar 1,4-Dichloro-2-methoxybenzene1984-58-364 % similar 2-Chloro-5-methoxybenzenamine2401-24-362 % similar 1,2,4-Trimethoxybenzene135-77-362 % similar 4-Chloro-3-methoxyaniline13726-14-260 % similar 5-Bromo-2-chloroanisole16817-43-960 % similar 2-Chloro-5-methoxyphenol18113-04-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S)-1-(2-Chlorophenyl)ethane-1,2-diol133082-13-0 2-(2-Chlorophenoxy)ethanol15480-00-9 2-(4-Chlorophenoxy)ethanol1892-43-9 2-Chloro-1,4-dimethoxybenzene2100-42-7 1-Chloro-3,5-dimethoxybenzene7051-16-3

Elsewhere

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