2,4,6-trichloroaniline

C6H4Cl3N — CID 12471

IUPAC2,4,6-trichloroaniline
SMILESNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKeyNATVSFWWYVJTAZ-UHFFFAOYSA-N
MW196.46 g/mol
LogP3.23
Rot. Bonds

About 2,4,6-trichloroaniline

2,4,6-trichloroaniline (PubChem CID 12471) has the molecular formula C6H4Cl3N and a molecular weight of 196.46 g/mol. Its IUPAC name is 2,4,6-trichloroaniline.

Molecular Properties

Compound Name2,4,6-trichloroaniline
PubChem CID12471
Molecular FormulaC6H4Cl3N
Molecular Weight196.46 g/mol
Exact Mass194.94
IUPAC Name2,4,6-trichloroaniline
SMILESNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKeyNATVSFWWYVJTAZ-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloroaniline
CID 7240
4-Chloroaniline
CID 7812
3,5-Dichloroaniline
CID 12281
2,5-Dichloroaniline
CID 7262
2,4-Dichloroaniline
CID 11123
4-Chloro-M-phenylenediamine
CID 21209
2,6-Dichloro-1,4-benzenediamine
CID 11860
4-Chloroaniline hydrochloride
CID 5284363
(2,4,6-Trichlorophenyl)hydrazine
CID 79234
2,6-Dichloroaniline
CID 11846
2,4,6-Trichloronitrobenzene
CID 29228
2-Bromo-4,6-dichloroaniline
CID 2756901

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloroaniline?
The IUPAC name of 2,4,6-trichloroaniline (CID 12471) is 2,4,6-trichloroaniline.
What is the SMILES notation for 2,4,6-trichloroaniline?
The canonical SMILES for 2,4,6-trichloroaniline is Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloroaniline?
The InChIKey is NATVSFWWYVJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2.
What are the key properties of 2,4,6-trichloroaniline?
2,4,6-trichloroaniline has a molecular weight of 196.46 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloroaniline is sourced from PubChem (CID 12471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).