CID 87410546

C3H5AlBr — CID 87410546

IUPAC—
SMILESC=CC[Al]Br
InChIInChI=1S/C3H5.Al.BrH/c1-3-2;;/h3H,1-2H2;;1H/q;+1;/p-1
InChIKeyIUVOEIBKJBLTRF-UHFFFAOYSA-M
MW147.96 g/mol
LogP1.60
Rot. Bonds2

About CID 87410546

CID 87410546 (PubChem CID 87410546) has the molecular formula C3H5AlBr and a molecular weight of 147.96 g/mol.

Molecular Properties

Compound NameCID 87410546
PubChem CID87410546
Molecular FormulaC3H5AlBr
Molecular Weight147.96 g/mol
Exact Mass146.94
IUPAC Name—
SMILESC=CC[Al]Br
InChIInChI=1S/C3H5.Al.BrH/c1-3-2;;/h3H,1-2H2;;1H/q;+1;/p-1
InChIKeyIUVOEIBKJBLTRF-UHFFFAOYSA-M
XLogP1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.96
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 16418
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Frequently Asked Questions

What is the IUPAC name of CID 87410546?
The IUPAC name of CID 87410546 (CID 87410546) is not available.
What is the SMILES notation for CID 87410546?
The canonical SMILES for CID 87410546 is C=CC[Al]Br.
What is the InChIKey of CID 87410546?
The InChIKey is IUVOEIBKJBLTRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5.Al.BrH/c1-3-2;;/h3H,1-2H2;;1H/q;+1;/p-1.
What are the key properties of CID 87410546?
CID 87410546 has a molecular weight of 147.96 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87410546 is sourced from PubChem (CID 87410546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).