4-chloro-2-(2,4-dichlorophenyl)aniline

C12H8Cl3N — CID 81274576

IUPAC4-chloro-2-(2,4-dichlorophenyl)aniline
SMILESNc1ccc(Cl)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N/c13-7-2-4-12(16)10(5-7)9-3-1-8(14)6-11(9)15/h1-6H,16H2
InChIKeyWQDRAHPJZNOFOK-UHFFFAOYSA-N
MW272.56 g/mol
LogP4.90
Rot. Bonds1

About 4-chloro-2-(2,4-dichlorophenyl)aniline

4-chloro-2-(2,4-dichlorophenyl)aniline (PubChem CID 81274576) has the molecular formula C12H8Cl3N and a molecular weight of 272.56 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dichlorophenyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(2,4-dichlorophenyl)aniline
PubChem CID81274576
Molecular FormulaC12H8Cl3N
Molecular Weight272.56 g/mol
Exact Mass270.97
IUPAC Name4-chloro-2-(2,4-dichlorophenyl)aniline
SMILESNc1ccc(Cl)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N/c13-7-2-4-12(16)10(5-7)9-3-1-8(14)6-11(9)15/h1-6H,16H2
InChIKeyWQDRAHPJZNOFOK-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.56
LogP ≤ 54.90
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-chloro-2-(2,4-dichlorophenyl)aniline?
The IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)aniline (CID 81274576) is 4-chloro-2-(2,4-dichlorophenyl)aniline.
What is the SMILES notation for 4-chloro-2-(2,4-dichlorophenyl)aniline?
The canonical SMILES for 4-chloro-2-(2,4-dichlorophenyl)aniline is Nc1ccc(Cl)cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-2-(2,4-dichlorophenyl)aniline?
The InChIKey is WQDRAHPJZNOFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N/c13-7-2-4-12(16)10(5-7)9-3-1-8(14)6-11(9)15/h1-6H,16H2.
What are the key properties of 4-chloro-2-(2,4-dichlorophenyl)aniline?
4-chloro-2-(2,4-dichlorophenyl)aniline has a molecular weight of 272.56 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dichlorophenyl)aniline is sourced from PubChem (CID 81274576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).