3,4,5-trichlorobenzaldehyde

C7H3Cl3O — CID 14118321

IUPAC3,4,5-trichlorobenzaldehyde
SMILESO=Cc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C7H3Cl3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChIKeyGHMOHPITLLRUAC-UHFFFAOYSA-N
MW209.46 g/mol
LogP3.46
Rot. Bonds1

About 3,4,5-trichlorobenzaldehyde

3,4,5-trichlorobenzaldehyde (PubChem CID 14118321) has the molecular formula C7H3Cl3O and a molecular weight of 209.46 g/mol. Its IUPAC name is 3,4,5-trichlorobenzaldehyde.

Molecular Properties

Compound Name3,4,5-trichlorobenzaldehyde
PubChem CID14118321
Molecular FormulaC7H3Cl3O
Molecular Weight209.46 g/mol
Exact Mass207.92
IUPAC Name3,4,5-trichlorobenzaldehyde
SMILESO=Cc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C7H3Cl3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChIKeyGHMOHPITLLRUAC-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,4,5-trichlorobenzaldehyde?
The IUPAC name of 3,4,5-trichlorobenzaldehyde (CID 14118321) is 3,4,5-trichlorobenzaldehyde.
What is the SMILES notation for 3,4,5-trichlorobenzaldehyde?
The canonical SMILES for 3,4,5-trichlorobenzaldehyde is O=Cc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 3,4,5-trichlorobenzaldehyde?
The InChIKey is GHMOHPITLLRUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H.
What are the key properties of 3,4,5-trichlorobenzaldehyde?
3,4,5-trichlorobenzaldehyde has a molecular weight of 209.46 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichlorobenzaldehyde is sourced from PubChem (CID 14118321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).