CID 89023463

C8H8BBr — CID 89023463

IUPAC—
SMILES[B]c1cc(Br)c(C)cc1C
InChIInChI=1S/C8H8BBr/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3
InChIKeyCUIPAGDZSPISQQ-UHFFFAOYSA-N
MW194.87 g/mol
LogP1.86
Rot. Bonds

About CID 89023463

CID 89023463 (PubChem CID 89023463) has the molecular formula C8H8BBr and a molecular weight of 194.87 g/mol.

Molecular Properties

Compound NameCID 89023463
PubChem CID89023463
Molecular FormulaC8H8BBr
Molecular Weight194.87 g/mol
Exact Mass193.99
IUPAC Name—
SMILES[B]c1cc(Br)c(C)cc1C
InChIInChI=1S/C8H8BBr/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3
InChIKeyCUIPAGDZSPISQQ-UHFFFAOYSA-N
XLogP1.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.87
LogP ≤ 51.86
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 89023463?
The IUPAC name of CID 89023463 (CID 89023463) is not available.
What is the SMILES notation for CID 89023463?
The canonical SMILES for CID 89023463 is [B]c1cc(Br)c(C)cc1C.
What is the InChIKey of CID 89023463?
The InChIKey is CUIPAGDZSPISQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BBr/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3.
What are the key properties of CID 89023463?
CID 89023463 has a molecular weight of 194.87 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89023463 is sourced from PubChem (CID 89023463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).