2-chloro-4-(4-chlorophenyl)aniline

C12H9Cl2N — CID 103694371

IUPAC2-chloro-4-(4-chlorophenyl)aniline
SMILESNc1ccc(-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C12H9Cl2N/c13-10-4-1-8(2-5-10)9-3-6-12(15)11(14)7-9/h1-7H,15H2
InChIKeyMBXLHNOCLJVZGU-UHFFFAOYSA-N
MW238.12 g/mol
LogP4.24
Rot. Bonds1

About 2-chloro-4-(4-chlorophenyl)aniline

2-chloro-4-(4-chlorophenyl)aniline (PubChem CID 103694371) has the molecular formula C12H9Cl2N and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorophenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(4-chlorophenyl)aniline
PubChem CID103694371
Molecular FormulaC12H9Cl2N
Molecular Weight238.12 g/mol
Exact Mass237.01
IUPAC Name2-chloro-4-(4-chlorophenyl)aniline
SMILESNc1ccc(-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C12H9Cl2N/c13-10-4-1-8(2-5-10)9-3-6-12(15)11(14)7-9/h1-7H,15H2
InChIKeyMBXLHNOCLJVZGU-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 54.24
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 2-chloro-4-(4-chlorophenyl)aniline?
The IUPAC name of 2-chloro-4-(4-chlorophenyl)aniline (CID 103694371) is 2-chloro-4-(4-chlorophenyl)aniline.
What is the SMILES notation for 2-chloro-4-(4-chlorophenyl)aniline?
The canonical SMILES for 2-chloro-4-(4-chlorophenyl)aniline is Nc1ccc(-c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-chlorophenyl)aniline?
The InChIKey is MBXLHNOCLJVZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N/c13-10-4-1-8(2-5-10)9-3-6-12(15)11(14)7-9/h1-7H,15H2.
What are the key properties of 2-chloro-4-(4-chlorophenyl)aniline?
2-chloro-4-(4-chlorophenyl)aniline has a molecular weight of 238.12 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chlorophenyl)aniline is sourced from PubChem (CID 103694371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).