N,N,2-trichloroaniline;hydrochloride

C6H5Cl4N — CID 88693018

IUPACN,N,2-trichloroaniline;hydrochloride
SMILESCl.Clc1ccccc1N(Cl)Cl
InChIInChI=1S/C6H4Cl3N.ClH/c7-5-3-1-2-4-6(5)10(8)9;/h1-4H;1H
InChIKeyNHDCWIMNPDKBKA-UHFFFAOYSA-N
MW232.93 g/mol
LogP3.88
Rot. Bonds1

About N,N,2-trichloroaniline;hydrochloride

N,N,2-trichloroaniline;hydrochloride (PubChem CID 88693018) has the molecular formula C6H5Cl4N and a molecular weight of 232.93 g/mol. Its IUPAC name is N,N,2-trichloroaniline;hydrochloride.

Molecular Properties

Compound NameN,N,2-trichloroaniline;hydrochloride
PubChem CID88693018
Molecular FormulaC6H5Cl4N
Molecular Weight232.93 g/mol
Exact Mass230.92
IUPAC NameN,N,2-trichloroaniline;hydrochloride
SMILESCl.Clc1ccccc1N(Cl)Cl
InChIInChI=1S/C6H4Cl3N.ClH/c7-5-3-1-2-4-6(5)10(8)9;/h1-4H;1H
InChIKeyNHDCWIMNPDKBKA-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.93
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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
3-Chloroaniline
CID 7932
2,3-Dichloroaniline
CID 11844
2,4-Dichloroaniline
CID 11123
2,4,6-Trichloroaniline
CID 12471
4-Chloroaniline hydrochloride
CID 5284363
2,6-Dichloroaniline
CID 11846
Chlorophenyl isocyanate
CID 76833
2-Chloro-1,4-benzenediamine dihydrochloride
CID 11997

Frequently Asked Questions

What is the IUPAC name of N,N,2-trichloroaniline;hydrochloride?
The IUPAC name of N,N,2-trichloroaniline;hydrochloride (CID 88693018) is N,N,2-trichloroaniline;hydrochloride.
What is the SMILES notation for N,N,2-trichloroaniline;hydrochloride?
The canonical SMILES for N,N,2-trichloroaniline;hydrochloride is Cl.Clc1ccccc1N(Cl)Cl.
What is the InChIKey of N,N,2-trichloroaniline;hydrochloride?
The InChIKey is NHDCWIMNPDKBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3N.ClH/c7-5-3-1-2-4-6(5)10(8)9;/h1-4H;1H.
What are the key properties of N,N,2-trichloroaniline;hydrochloride?
N,N,2-trichloroaniline;hydrochloride has a molecular weight of 232.93 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trichloroaniline;hydrochloride is sourced from PubChem (CID 88693018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).