CID 88796917

C2H7BBr2 — CID 88796917

IUPAC—
SMILESBr.Br.[B]CC
InChIInChI=1S/C2H5B.2BrH/c1-2-3;;/h2H2,1H3;2*1H
InChIKeyPZJHEVBQRBXNRU-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.75
Rot. Bonds

About CID 88796917

CID 88796917 (PubChem CID 88796917) has the molecular formula C2H7BBr2 and a molecular weight of 201.70 g/mol.

Molecular Properties

Compound NameCID 88796917
PubChem CID88796917
Molecular FormulaC2H7BBr2
Molecular Weight201.70 g/mol
Exact Mass199.90
IUPAC Name—
SMILESBr.Br.[B]CC
InChIInChI=1S/C2H5B.2BrH/c1-2-3;;/h2H2,1H3;2*1H
InChIKeyPZJHEVBQRBXNRU-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 88796917?
The IUPAC name of CID 88796917 (CID 88796917) is not available.
What is the SMILES notation for CID 88796917?
The canonical SMILES for CID 88796917 is Br.Br.[B]CC.
What is the InChIKey of CID 88796917?
The InChIKey is PZJHEVBQRBXNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5B.2BrH/c1-2-3;;/h2H2,1H3;2*1H.
What are the key properties of CID 88796917?
CID 88796917 has a molecular weight of 201.70 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88796917 is sourced from PubChem (CID 88796917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).