3-Chloro-4-hydroxybenzaldehyde

C₇H₅ClO₂CAS 2420-16-8156.56 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

Properties

Molecular formula: C₇H₅ClO₂
Molar mass: 156.56 g/mol
Exact mass: 155.9978 Da
Melting point: 139 °C
logP: 1.86Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

2420-16-8

SMILES

O=Cc1ccc(O)c(Cl)c1

InChIKey

VGSOCYWCRMXQAB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H

Weigh it out

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

Names and synonyms

4 names

Benzaldehyde, 3-chloro-4-hydroxy-
4-Hydroxy-3-chlorobenzaldehyde
4-Hydroxy-5-chlorobenzaldehyde
NSC 85482

Work with 3-Chloro-4-hydroxybenzaldehyde

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

Protocatechuic aldehyde139-85-564 % similar 3,4-Dichlorobenzaldehyde6287-38-364 % similar 4-Bromo-3-chlorobenzaldehyde120077-69-261 % similar 3-Bromo-4-hydroxybenzaldehyde2973-78-661 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-556 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-056 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-752 % similar Vanillin121-33-551 % similar

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

Same formula

2-Chlorobenzoic acid118-91-2 Phenyl chloroformate1885-14-9 2-Chloro-5-methyl-1,4-benzoquinone19832-87-2 3-Chlorobenzoic acid535-80-8 2-Chloro-4-hydroxybenzaldehyde56962-11-9 5-Chlorosalicylaldehyde635-93-8 5-Chloro-1,3-benzodioxole7228-38-8 4-Chlorobenzoic acid74-11-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook