chempirical

3-Chloro-4-hydroxy-5-methoxybenzaldehyde

C8H7ClO3CAS 19463-48-0186.59 g/mol

Open in Covalent MOL file
OOClHO
AlcoholAldehydeHalogen

Properties

Molecular formula
C8H7ClO3
Molar mass
186.59 g/mol
Exact mass
186.0084 Da
Melting point
165 °C
logP
1.87Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
19463-48-0
SMILES
COc1cc(C=O)cc(Cl)c1O
InChIKey
ONIVKFDMLVBDRK-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy-
  • Vanillin, 5-chloro-
  • 5-Chlorovanillin
  • 5-Monochlorovanillin
  • NSC 45929

Work with 3-Chloro-4-hydroxy-5-methoxybenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

2-Chloromandelic acid10421-85-9 4-Chlorophenoxyacetic acid122-88-3 3-Chloromandelic acid16273-37-3 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3 5-Chloro-2-methoxybenzoic acid3438-16-2 3-Chloro-4-methoxybenzoic acid37908-96-6 Methyl 3-chloro-4-hydroxybenzoate3964-57-6

Elsewhere

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