(2,5-dichlorophenyl)azanium chloride

C6H6Cl3N — CID 53446797

IUPAC(2,5-dichlorophenyl)azanium chloride
SMILES[Cl-].[NH3+]c1cc(Cl)ccc1Cl
InChIInChI=1S/C6H5Cl2N.ClH/c7-4-1-2-5(8)6(9)3-4;/h1-3H,9H2;1H
InChIKeyZALVJCYWUBQENP-UHFFFAOYSA-N
MW198.48 g/mol
LogP-1.13
Rot. Bonds

About (2,5-dichlorophenyl)azanium chloride

(2,5-dichlorophenyl)azanium chloride (PubChem CID 53446797) has the molecular formula C6H6Cl3N and a molecular weight of 198.48 g/mol. Its IUPAC name is (2,5-dichlorophenyl)azanium chloride.

Molecular Properties

Compound Name(2,5-dichlorophenyl)azanium chloride
PubChem CID53446797
Molecular FormulaC6H6Cl3N
Molecular Weight198.48 g/mol
Exact Mass196.96
IUPAC Name(2,5-dichlorophenyl)azanium chloride
SMILES[Cl-].[NH3+]c1cc(Cl)ccc1Cl
InChIInChI=1S/C6H5Cl2N.ClH/c7-4-1-2-5(8)6(9)3-4;/h1-3H,9H2;1H
InChIKeyZALVJCYWUBQENP-UHFFFAOYSA-N
XLogP-1.13
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.48
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)azanium chloride?
The IUPAC name of (2,5-dichlorophenyl)azanium chloride (CID 53446797) is (2,5-dichlorophenyl)azanium chloride.
What is the SMILES notation for (2,5-dichlorophenyl)azanium chloride?
The canonical SMILES for (2,5-dichlorophenyl)azanium chloride is [Cl-].[NH3+]c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)azanium chloride?
The InChIKey is ZALVJCYWUBQENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N.ClH/c7-4-1-2-5(8)6(9)3-4;/h1-3H,9H2;1H.
What are the key properties of (2,5-dichlorophenyl)azanium chloride?
(2,5-dichlorophenyl)azanium chloride has a molecular weight of 198.48 g/mol, XLogP of -1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)azanium chloride is sourced from PubChem (CID 53446797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).