2-Chloro-3,4-dimethoxybenzaldehyde

C₉H₉ClO₃CAS 5417-17-4200.62 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₉H₉ClO₃
Molar mass: 200.62 g/mol
Exact mass: 200.0240 Da
Melting point: 69–70 °C
logP: 2.17Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

5417-17-4

SMILES

COc1ccc(C=O)c(Cl)c1OC

InChIKey

SAWHDJTZESXNMM-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-5H,1-2H3

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Names and synonyms

4 names

Benzaldehyde, 2-chloro-3,4-dimethoxy-
Veratraldehyde, 2-chloro-
2-Chloroveratraldehyde
NSC 7375

Work with 2-Chloro-3,4-dimethoxybenzaldehyde

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-Dimethoxybenzaldehyde86-51-162 % similar 2-Hydroxy-3,4-dimethoxybenzaldehyde19283-70-661 % similar 2,5-Dimethoxybenzaldehyde93-02-754 % similar 5-Chloro-2-methoxybenzaldehyde7035-09-854 % similar 6-Formyl-2,3-dimethoxybenzoic acid519-05-154 % similar 4-Methoxy-2,3-dimethylbenzaldehyde38998-17-353 % similar 2,4-Dimethoxybenzaldehyde613-45-653 % similar 4-Methoxy-1-naphthaldehyde15971-29-651 % similar

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

Same formula

(±)-2-(3-Chlorophenoxy)propionic acid101-10-0 3,5-Dimethoxybenzoyl chloride17213-57-9 2,5-Dimethoxybenzoyl chloride17918-14-8 2,6-Dimethoxybenzoyl chloride1989-53-3 2-(2-Chlorophenoxy)propionic acid25140-86-7 3-(4-Chlorophenoxy)propanoic acid3284-79-5 2-(4-Chlorophenoxy)propionic acid3307-39-9 Methyl 5-chloro-2-methoxybenzoate33924-48-0

Elsewhere

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