1-(2-chlorophenyl)-2-nitrobenzene

C12H8ClNO2 — CID 22493357

IUPAC1-(2-chlorophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1-c1ccccc1Cl
InChIInChI=1S/C12H8ClNO2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(15)16/h1-8H
InChIKeyAASGLKDYFNBDAN-UHFFFAOYSA-N
MW233.65 g/mol
LogP3.92
Rot. Bonds2

About 1-(2-chlorophenyl)-2-nitrobenzene

1-(2-chlorophenyl)-2-nitrobenzene (PubChem CID 22493357) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-nitrobenzene.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-nitrobenzene
PubChem CID22493357
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name1-(2-chlorophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1-c1ccccc1Cl
InChIInChI=1S/C12H8ClNO2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(15)16/h1-8H
InChIKeyAASGLKDYFNBDAN-UHFFFAOYSA-N
XLogP3.92
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-chlorophenyl)-2-nitrobenzene 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 1-(2-chlorophenyl)-2-nitrobenzene?
The IUPAC name of 1-(2-chlorophenyl)-2-nitrobenzene (CID 22493357) is 1-(2-chlorophenyl)-2-nitrobenzene.
What is the SMILES notation for 1-(2-chlorophenyl)-2-nitrobenzene?
The canonical SMILES for 1-(2-chlorophenyl)-2-nitrobenzene is O=[N+]([O-])c1ccccc1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-nitrobenzene?
The InChIKey is AASGLKDYFNBDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(15)16/h1-8H.
What are the key properties of 1-(2-chlorophenyl)-2-nitrobenzene?
1-(2-chlorophenyl)-2-nitrobenzene has a molecular weight of 233.65 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-nitrobenzene is sourced from PubChem (CID 22493357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).