4-Chloro-3-methoxybenzaldehyde

C₈H₇ClO₂CAS 13726-16-4170.59 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Melting point: 52 °C
logP: 2.16Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

13726-16-4

SMILES

COc1cc(C=O)ccc1Cl

InChIKey

BZCOHGUBYSDFET-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzaldehyde, 4-chloro-3-methoxy-
m-Anisaldehyde, 4-chloro-
3-Methoxy-4-chlorobenzaldehyde
4-Chloro-3-methoxylbenzaldehyde

Work with 4-Chloro-3-methoxybenzaldehyde

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

3-Chloro-4-methoxybenzaldehyde4903-09-775 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-662 % similar Vanillin121-33-560 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-560 % similar 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-059 % similar 3,4-Dichlorobenzaldehyde6287-38-358 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-457 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-656 % similar

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

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 5′-Chloro-2′-hydroxyacetophenone1450-74-4 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6 Piperonyl chloride20850-43-5

Elsewhere

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