2-chlorobenzenecarboselenoyl chloride

C7H4Cl2Se — CID 22643532

IUPAC2-chlorobenzenecarboselenoyl chloride
SMILESClC(=[Se])c1ccccc1Cl
InChIInChI=1S/C7H4Cl2Se/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
InChIKeyAPVUVAHXXOPEFF-UHFFFAOYSA-N
MW237.97 g/mol
LogP2.23
Rot. Bonds1

About 2-chlorobenzenecarboselenoyl chloride

2-chlorobenzenecarboselenoyl chloride (PubChem CID 22643532) has the molecular formula C7H4Cl2Se and a molecular weight of 237.97 g/mol. Its IUPAC name is 2-chlorobenzenecarboselenoyl chloride.

Molecular Properties

Compound Name2-chlorobenzenecarboselenoyl chloride
PubChem CID22643532
Molecular FormulaC7H4Cl2Se
Molecular Weight237.97 g/mol
Exact Mass237.89
IUPAC Name2-chlorobenzenecarboselenoyl chloride
SMILESClC(=[Se])c1ccccc1Cl
InChIInChI=1S/C7H4Cl2Se/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
InChIKeyAPVUVAHXXOPEFF-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.97
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chlorobenzenecarboselenoyl chloride 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 2-chlorobenzenecarboselenoyl chloride?
The IUPAC name of 2-chlorobenzenecarboselenoyl chloride (CID 22643532) is 2-chlorobenzenecarboselenoyl chloride.
What is the SMILES notation for 2-chlorobenzenecarboselenoyl chloride?
The canonical SMILES for 2-chlorobenzenecarboselenoyl chloride is ClC(=[Se])c1ccccc1Cl.
What is the InChIKey of 2-chlorobenzenecarboselenoyl chloride?
The InChIKey is APVUVAHXXOPEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2Se/c8-6-4-2-1-3-5(6)7(9)10/h1-4H.
What are the key properties of 2-chlorobenzenecarboselenoyl chloride?
2-chlorobenzenecarboselenoyl chloride has a molecular weight of 237.97 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzenecarboselenoyl chloride is sourced from PubChem (CID 22643532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).