3-chloro-2-(2,3,5-trichlorophenyl)aniline

C12H7Cl4N — CID 119002694

IUPAC3-chloro-2-(2,3,5-trichlorophenyl)aniline
SMILESNc1cccc(Cl)c1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H7Cl4N/c13-6-4-7(12(16)9(15)5-6)11-8(14)2-1-3-10(11)17/h1-5H,17H2
InChIKeyUUZLQOGQCRQBPI-UHFFFAOYSA-N
MW307.01 g/mol
LogP5.55
Rot. Bonds1

About 3-chloro-2-(2,3,5-trichlorophenyl)aniline

3-chloro-2-(2,3,5-trichlorophenyl)aniline (PubChem CID 119002694) has the molecular formula C12H7Cl4N and a molecular weight of 307.01 g/mol. Its IUPAC name is 3-chloro-2-(2,3,5-trichlorophenyl)aniline.

Molecular Properties

Compound Name3-chloro-2-(2,3,5-trichlorophenyl)aniline
PubChem CID119002694
Molecular FormulaC12H7Cl4N
Molecular Weight307.01 g/mol
Exact Mass304.93
IUPAC Name3-chloro-2-(2,3,5-trichlorophenyl)aniline
SMILESNc1cccc(Cl)c1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H7Cl4N/c13-6-4-7(12(16)9(15)5-6)11-8(14)2-1-3-10(11)17/h1-5H,17H2
InChIKeyUUZLQOGQCRQBPI-UHFFFAOYSA-N
XLogP5.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.01
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,3,5-trichlorophenyl)aniline?
The IUPAC name of 3-chloro-2-(2,3,5-trichlorophenyl)aniline (CID 119002694) is 3-chloro-2-(2,3,5-trichlorophenyl)aniline.
What is the SMILES notation for 3-chloro-2-(2,3,5-trichlorophenyl)aniline?
The canonical SMILES for 3-chloro-2-(2,3,5-trichlorophenyl)aniline is Nc1cccc(Cl)c1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 3-chloro-2-(2,3,5-trichlorophenyl)aniline?
The InChIKey is UUZLQOGQCRQBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4N/c13-6-4-7(12(16)9(15)5-6)11-8(14)2-1-3-10(11)17/h1-5H,17H2.
What are the key properties of 3-chloro-2-(2,3,5-trichlorophenyl)aniline?
3-chloro-2-(2,3,5-trichlorophenyl)aniline has a molecular weight of 307.01 g/mol, XLogP of 5.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,3,5-trichlorophenyl)aniline is sourced from PubChem (CID 119002694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).