CID 134991138

B2Cl4 — CID 134991138

IUPAC—
SMILESCl[B]Cl.Cl[B]Cl
InChIInChI=1S/2BCl2/c2*2-1-3
InChIKeyTWIHPWACYSOEBO-UHFFFAOYSA-N
MW163.44 g/mol
LogP2.00
Rot. Bonds

About CID 134991138

CID 134991138 (PubChem CID 134991138) has the molecular formula B2Cl4 and a molecular weight of 163.44 g/mol.

Molecular Properties

Compound NameCID 134991138
PubChem CID134991138
Molecular FormulaB2Cl4
Molecular Weight163.44 g/mol
Exact Mass161.89
IUPAC Name—
SMILESCl[B]Cl.Cl[B]Cl
InChIInChI=1S/2BCl2/c2*2-1-3
InChIKeyTWIHPWACYSOEBO-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.44
LogP ≤ 52.00
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 134991138?
The IUPAC name of CID 134991138 (CID 134991138) is not available.
What is the SMILES notation for CID 134991138?
The canonical SMILES for CID 134991138 is Cl[B]Cl.Cl[B]Cl.
What is the InChIKey of CID 134991138?
The InChIKey is TWIHPWACYSOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2BCl2/c2*2-1-3.
What are the key properties of CID 134991138?
CID 134991138 has a molecular weight of 163.44 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134991138 is sourced from PubChem (CID 134991138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).