4-chloroaniline;perchloric acid

C6H7Cl2NO4 — CID 71351222

IUPAC4-chloroaniline;perchloric acid
SMILESNc1ccc(Cl)cc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H6ClN.ClHO4/c7-5-1-3-6(8)4-2-5;2-1(3,4)5/h1-4H,8H2;(H,2,3,4,5)
InChIKeyDCSWJEOWEVABBO-UHFFFAOYSA-N
MW228.03 g/mol
LogP-2.20
Rot. Bonds

About 4-chloroaniline;perchloric acid

4-chloroaniline;perchloric acid (PubChem CID 71351222) has the molecular formula C6H7Cl2NO4 and a molecular weight of 228.03 g/mol. Its IUPAC name is 4-chloroaniline;perchloric acid.

Molecular Properties

Compound Name4-chloroaniline;perchloric acid
PubChem CID71351222
Molecular FormulaC6H7Cl2NO4
Molecular Weight228.03 g/mol
Exact Mass226.98
IUPAC Name4-chloroaniline;perchloric acid
SMILESNc1ccc(Cl)cc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H6ClN.ClHO4/c7-5-1-3-6(8)4-2-5;2-1(3,4)5/h1-4H,8H2;(H,2,3,4,5)
InChIKeyDCSWJEOWEVABBO-UHFFFAOYSA-N
XLogP-2.20
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloroaniline;perchloric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloroaniline;perchloric acid?
The IUPAC name of 4-chloroaniline;perchloric acid (CID 71351222) is 4-chloroaniline;perchloric acid.
What is the SMILES notation for 4-chloroaniline;perchloric acid?
The canonical SMILES for 4-chloroaniline;perchloric acid is Nc1ccc(Cl)cc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 4-chloroaniline;perchloric acid?
The InChIKey is DCSWJEOWEVABBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.ClHO4/c7-5-1-3-6(8)4-2-5;2-1(3,4)5/h1-4H,8H2;(H,2,3,4,5).
What are the key properties of 4-chloroaniline;perchloric acid?
4-chloroaniline;perchloric acid has a molecular weight of 228.03 g/mol, XLogP of -2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroaniline;perchloric acid is sourced from PubChem (CID 71351222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).