5-Chloro-2-methoxybenzoyl chloride

C8H6Cl2O2CAS 29568-33-0205.03 g/mol

Open in Covalent MOL file
OClOCl
Acyl halideAryl halideEther

Properties

Molecular formula
C8H6Cl2O2
Molar mass
205.03 g/mol
Exact mass
203.9745 Da
logP
2.73Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
29568-33-0
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)Cl
InChIKey
JVLUMHRASWENRU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3

Weigh it out

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Work with 5-Chloro-2-methoxybenzoyl chloride

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

2,5-Dimethoxybenzoyl chloride17918-14-869 % similar 1-(5-Chloro-2-methoxyphenyl)ethanone6342-64-967 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-065 % similar 5-Chloro-2-methoxybenzoic acid3438-16-265 % similar 2-Methoxybenzoyl chloride21615-34-960 % similar 2,5-Dichlorobenzoyl chloride2905-61-557 % similar 3,4-Dimethoxybenzoyl chloride3535-37-354 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dichlorophenylacetic acid10236-60-9 Methyl 2,6-dichlorobenzoate14920-87-7 2,4-Dichlorophenylacetic acid19719-28-9 Methyl 2,3-dichlorobenzoate2905-54-6 3,5-Dichlorobenzoic acid methyl ester2905-67-1 Methyl 3,4-dichlorobenzoate2905-68-2 Methyl 2,5-dichlorobenzoate2905-69-3 3',5'-Dichloro-2'-hydroxyacetophenone3321-92-4

Elsewhere

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