chempirical

2-Chloro-3,4-dimethoxybenzoic acid

C9H9ClO4CAS 52009-53-7216.62 g/mol

Open in Covalent MOL file
OOOHClO
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C9H9ClO4
Molar mass
216.62 g/mol
Exact mass
216.0189 Da
logP
2.06Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

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
52009-53-7
SMILES
COC1=C(C(=C(C=C1)C(=O)O)Cl)OC
InChIKey
YSEIYOHXERRMNN-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO4/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4H,1-2H3,(H,11,12)

Weigh it out

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Work with 2-Chloro-3,4-dimethoxybenzoic acid

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

2,3,4-Trimethoxybenzoic acid573-11-571 % similar 2,3-Dimethoxybenzoic acid1521-38-665 % similar 5-Chloro-2-methoxybenzoic acid3438-16-257 % similar 4-Chloro-2-methoxybenzoic acid57479-70-657 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-855 % similar 3-Chloro-2-methoxybenzoic acid3260-93-355 % similar 2,3-Difluoro-4-methoxybenzoic acid329014-60-055 % similar 2-Methoxybenzoic acid529-75-953 % similar

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

Elsewhere

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