2,3,4,5-tetrachloroaniline

C6H3Cl4N — CID 12466

IUPAC2,3,4,5-tetrachloroaniline
SMILESNc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2
InChIKeyGBKZRUCVLTWAML-UHFFFAOYSA-N
MW230.91 g/mol
LogP3.88
Rot. Bonds

About 2,3,4,5-tetrachloroaniline

2,3,4,5-tetrachloroaniline (PubChem CID 12466) has the molecular formula C6H3Cl4N and a molecular weight of 230.91 g/mol. Its IUPAC name is 2,3,4,5-tetrachloroaniline.

Molecular Properties

Compound Name2,3,4,5-tetrachloroaniline
PubChem CID12466
Molecular FormulaC6H3Cl4N
Molecular Weight230.91 g/mol
Exact Mass228.90
IUPAC Name2,3,4,5-tetrachloroaniline
SMILESNc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2
InChIKeyGBKZRUCVLTWAML-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.91
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloroaniline?
The IUPAC name of 2,3,4,5-tetrachloroaniline (CID 12466) is 2,3,4,5-tetrachloroaniline.
What is the SMILES notation for 2,3,4,5-tetrachloroaniline?
The canonical SMILES for 2,3,4,5-tetrachloroaniline is Nc1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachloroaniline?
The InChIKey is GBKZRUCVLTWAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2.
What are the key properties of 2,3,4,5-tetrachloroaniline?
2,3,4,5-tetrachloroaniline has a molecular weight of 230.91 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachloroaniline is sourced from PubChem (CID 12466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).