CID 88581432

C7H4BClO — CID 88581432

IUPAC—
SMILES[B]c1ccccc1C(=O)Cl
InChIInChI=1S/C7H4BClO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
InChIKeyWBAWJAYCFXTOAX-UHFFFAOYSA-N
MW150.37 g/mol
LogP0.86
Rot. Bonds1

About CID 88581432

CID 88581432 (PubChem CID 88581432) has the molecular formula C7H4BClO and a molecular weight of 150.37 g/mol.

Molecular Properties

Compound NameCID 88581432
PubChem CID88581432
Molecular FormulaC7H4BClO
Molecular Weight150.37 g/mol
Exact Mass150.00
IUPAC Name—
SMILES[B]c1ccccc1C(=O)Cl
InChIInChI=1S/C7H4BClO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
InChIKeyWBAWJAYCFXTOAX-UHFFFAOYSA-N
XLogP0.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.37
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88581432?
The IUPAC name of CID 88581432 (CID 88581432) is not available.
What is the SMILES notation for CID 88581432?
The canonical SMILES for CID 88581432 is [B]c1ccccc1C(=O)Cl.
What is the InChIKey of CID 88581432?
The InChIKey is WBAWJAYCFXTOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BClO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H.
What are the key properties of CID 88581432?
CID 88581432 has a molecular weight of 150.37 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88581432 is sourced from PubChem (CID 88581432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).