CID 142398136

C7H6BI — CID 142398136

IUPAC—
SMILES[B]c1ccccc1CI
InChIInChI=1S/C7H6BI/c8-7-4-2-1-3-6(7)5-9/h1-4H,5H2
InChIKeyVWNHWSBAFJQYQG-UHFFFAOYSA-N
MW227.84 g/mol
LogP1.42
Rot. Bonds1

About CID 142398136

CID 142398136 (PubChem CID 142398136) has the molecular formula C7H6BI and a molecular weight of 227.84 g/mol.

Molecular Properties

Compound NameCID 142398136
PubChem CID142398136
Molecular FormulaC7H6BI
Molecular Weight227.84 g/mol
Exact Mass227.96
IUPAC Name—
SMILES[B]c1ccccc1CI
InChIInChI=1S/C7H6BI/c8-7-4-2-1-3-6(7)5-9/h1-4H,5H2
InChIKeyVWNHWSBAFJQYQG-UHFFFAOYSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.84
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 142398136?
The IUPAC name of CID 142398136 (CID 142398136) is not available.
What is the SMILES notation for CID 142398136?
The canonical SMILES for CID 142398136 is [B]c1ccccc1CI.
What is the InChIKey of CID 142398136?
The InChIKey is VWNHWSBAFJQYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BI/c8-7-4-2-1-3-6(7)5-9/h1-4H,5H2.
What are the key properties of CID 142398136?
CID 142398136 has a molecular weight of 227.84 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142398136 is sourced from PubChem (CID 142398136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).