2,3,4-trichloro-6-hydroxybenzaldehyde

C7H3Cl3O2 — CID 528388

IUPAC2,3,4-trichloro-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl3O2/c8-4-1-5(12)3(2-11)6(9)7(4)10/h1-2,12H
InChIKeyDSYXJIUEIAOOAD-UHFFFAOYSA-N
MW225.46 g/mol
LogP3.16
Rot. Bonds1

About 2,3,4-trichloro-6-hydroxybenzaldehyde

2,3,4-trichloro-6-hydroxybenzaldehyde (PubChem CID 528388) has the molecular formula C7H3Cl3O2 and a molecular weight of 225.46 g/mol. Its IUPAC name is 2,3,4-trichloro-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2,3,4-trichloro-6-hydroxybenzaldehyde
PubChem CID528388
Molecular FormulaC7H3Cl3O2
Molecular Weight225.46 g/mol
Exact Mass223.92
IUPAC Name2,3,4-trichloro-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl3O2/c8-4-1-5(12)3(2-11)6(9)7(4)10/h1-2,12H
InChIKeyDSYXJIUEIAOOAD-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichloro-6-hydroxybenzaldehyde?
The IUPAC name of 2,3,4-trichloro-6-hydroxybenzaldehyde (CID 528388) is 2,3,4-trichloro-6-hydroxybenzaldehyde.
What is the SMILES notation for 2,3,4-trichloro-6-hydroxybenzaldehyde?
The canonical SMILES for 2,3,4-trichloro-6-hydroxybenzaldehyde is O=Cc1c(O)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4-trichloro-6-hydroxybenzaldehyde?
The InChIKey is DSYXJIUEIAOOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3O2/c8-4-1-5(12)3(2-11)6(9)7(4)10/h1-2,12H.
What are the key properties of 2,3,4-trichloro-6-hydroxybenzaldehyde?
2,3,4-trichloro-6-hydroxybenzaldehyde has a molecular weight of 225.46 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichloro-6-hydroxybenzaldehyde is sourced from PubChem (CID 528388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).