CID 89073638

C7H5B2BrO — CID 89073638

IUPAC—
SMILES[B]c1cc(Br)cc([B])c1OC
InChIInChI=1S/C7H5B2BrO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,1H3
InChIKeyPQOHJTPKQVRWHT-UHFFFAOYSA-N
MW206.64 g/mol
LogP0.05
Rot. Bonds1

About CID 89073638

CID 89073638 (PubChem CID 89073638) has the molecular formula C7H5B2BrO and a molecular weight of 206.64 g/mol.

Molecular Properties

Compound NameCID 89073638
PubChem CID89073638
Molecular FormulaC7H5B2BrO
Molecular Weight206.64 g/mol
Exact Mass205.97
IUPAC Name—
SMILES[B]c1cc(Br)cc([B])c1OC
InChIInChI=1S/C7H5B2BrO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,1H3
InChIKeyPQOHJTPKQVRWHT-UHFFFAOYSA-N
XLogP0.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 89073638?
The IUPAC name of CID 89073638 (CID 89073638) is not available.
What is the SMILES notation for CID 89073638?
The canonical SMILES for CID 89073638 is [B]c1cc(Br)cc([B])c1OC.
What is the InChIKey of CID 89073638?
The InChIKey is PQOHJTPKQVRWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5B2BrO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,1H3.
What are the key properties of CID 89073638?
CID 89073638 has a molecular weight of 206.64 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89073638 is sourced from PubChem (CID 89073638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).