CID 88748776

C6H9AlBr2 — CID 88748776

IUPAC—
SMILES[Al]C1CCCC(Br)C1Br
InChIInChI=1S/C6H9Br2.Al/c7-5-3-1-2-4-6(5)8;/h3,5-6H,1-2,4H2;
InChIKeyALFCFVCLEMKJJF-UHFFFAOYSA-N
MW267.93 g/mol
LogP2.65
Rot. Bonds

About CID 88748776

CID 88748776 (PubChem CID 88748776) has the molecular formula C6H9AlBr2 and a molecular weight of 267.93 g/mol.

Molecular Properties

Compound NameCID 88748776
PubChem CID88748776
Molecular FormulaC6H9AlBr2
Molecular Weight267.93 g/mol
Exact Mass265.89
IUPAC Name—
SMILES[Al]C1CCCC(Br)C1Br
InChIInChI=1S/C6H9Br2.Al/c7-5-3-1-2-4-6(5)8;/h3,5-6H,1-2,4H2;
InChIKeyALFCFVCLEMKJJF-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.93
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-bromo-2,3-difluorocyclohexane
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1,2-dibromocyclodecane
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1,2,3,4,5,6,7,8,9,10-decabromocyclododecane
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1,2-dibromocyclododecane
CID 13111000
trans-(1S,2S)-2-bromocyclopentan-1-amine
CID 95970386
1,2,5,6,9,10-hexabromocyclooctadecane
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CID 11446885
trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane
CID 14387267
(1R,2R,5R,6S,10R)-1,2,5,6,9,10-hexabromocyclododecane
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cis-(1S,2R)-2-bromocyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of CID 88748776?
The IUPAC name of CID 88748776 (CID 88748776) is not available.
What is the SMILES notation for CID 88748776?
The canonical SMILES for CID 88748776 is [Al]C1CCCC(Br)C1Br.
What is the InChIKey of CID 88748776?
The InChIKey is ALFCFVCLEMKJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Br2.Al/c7-5-3-1-2-4-6(5)8;/h3,5-6H,1-2,4H2;.
What are the key properties of CID 88748776?
CID 88748776 has a molecular weight of 267.93 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88748776 is sourced from PubChem (CID 88748776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).