4-chloroaniline;hydrochloride

C6H7Cl2N — CID 5284363

IUPAC4-chloroaniline;hydrochloride
SMILESCl.Nc1ccc(Cl)cc1
InChIInChI=1S/C6H6ClN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
InChIKeyISJBQSJDQZLCSF-UHFFFAOYSA-N
MW164.03 g/mol
LogP2.34
Rot. Bonds

About 4-chloroaniline;hydrochloride

4-chloroaniline;hydrochloride (PubChem CID 5284363) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is 4-chloroaniline;hydrochloride.

Molecular Properties

Compound Name4-chloroaniline;hydrochloride
PubChem CID5284363
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name4-chloroaniline;hydrochloride
SMILESCl.Nc1ccc(Cl)cc1
InChIInChI=1S/C6H6ClN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
InChIKeyISJBQSJDQZLCSF-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloroaniline;hydrochloride?
The IUPAC name of 4-chloroaniline;hydrochloride (CID 5284363) is 4-chloroaniline;hydrochloride.
What is the SMILES notation for 4-chloroaniline;hydrochloride?
The canonical SMILES for 4-chloroaniline;hydrochloride is Cl.Nc1ccc(Cl)cc1.
What is the InChIKey of 4-chloroaniline;hydrochloride?
The InChIKey is ISJBQSJDQZLCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H.
What are the key properties of 4-chloroaniline;hydrochloride?
4-chloroaniline;hydrochloride has a molecular weight of 164.03 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroaniline;hydrochloride is sourced from PubChem (CID 5284363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).