chempirical

2,3-Dichlorobenzaldehyde

C7H4Cl2OCAS 6334-18-5175.01 g/mol

Open in Covalent MOL file
OClCl
AldehydeAryl halide

Properties

Molecular formula
C7H4Cl2O
Molar mass
175.01 g/mol
Exact mass
173.9639 Da
Melting point
65–67 °C
logP
2.81Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
6334-18-5
SMILES
O=Cc1cccc(Cl)c1Cl
InChIKey
LLMLNAVBOAMOEE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H

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

Names and synonyms

2 names
  • Benzaldehyde, 2,3-dichloro-
  • NSC 28450

Work with 2,3-Dichlorobenzaldehyde

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-Chlorobenzaldehyde89-98-568 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-064 % similar 2,3,5-Trichlorobenzaldehyde56961-75-259 % similar 2,3,6-Trichlorobenzaldehyde4659-47-654 % similar 1,2,3-Trichlorobenzene87-61-652 % similar Phthalaldehyde643-79-850 % similar 5-Bromo-2-chlorobenzaldehyde189628-37-347 % similar 2-Chloro-4-hydroxybenzaldehyde56962-11-947 % similar

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

Same formula

3,5-Dichlorobenzaldehyde10203-08-4 4-Chlorobenzoyl chloride122-01-0 2-Chlorobenzoyl chloride609-65-4 3-Chlorobenzoyl chloride618-46-2 3,4-Dichlorobenzaldehyde6287-38-3 2,5-Dichlorobenzaldehyde6361-23-5 2,6-Dichlorobenzaldehyde83-38-5 2,4-Dichlorobenzaldehyde874-42-0

Elsewhere

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