CID 158920059

BBrCl — CID 158920059

IUPAC—
SMILESClBr.[B]
InChIInChI=1S/B.BrCl/c;1-2
InChIKeyJHSKZHPLBZEZJP-UHFFFAOYSA-N
MW126.17 g/mol
LogP1.15
Rot. Bonds

About CID 158920059

CID 158920059 (PubChem CID 158920059) has the molecular formula BBrCl and a molecular weight of 126.17 g/mol.

Molecular Properties

Compound NameCID 158920059
PubChem CID158920059
Molecular FormulaBBrCl
Molecular Weight126.17 g/mol
Exact Mass124.90
IUPAC Name—
SMILESClBr.[B]
InChIInChI=1S/B.BrCl/c;1-2
InChIKeyJHSKZHPLBZEZJP-UHFFFAOYSA-N
XLogP1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158920059?
The IUPAC name of CID 158920059 (CID 158920059) is not available.
What is the SMILES notation for CID 158920059?
The canonical SMILES for CID 158920059 is ClBr.[B].
What is the InChIKey of CID 158920059?
The InChIKey is JHSKZHPLBZEZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/B.BrCl/c;1-2.
What are the key properties of CID 158920059?
CID 158920059 has a molecular weight of 126.17 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158920059 is sourced from PubChem (CID 158920059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).