CID 89303094

C7H6BClO — CID 89303094

IUPAC—
SMILES[B]c1ccc(CO)c(Cl)c1
InChIInChI=1S/C7H6BClO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKeyBFZMYMVCUQHZBE-UHFFFAOYSA-N
MW152.39 g/mol
LogP0.63
Rot. Bonds1

About CID 89303094

CID 89303094 (PubChem CID 89303094) has the molecular formula C7H6BClO and a molecular weight of 152.39 g/mol.

Molecular Properties

Compound NameCID 89303094
PubChem CID89303094
Molecular FormulaC7H6BClO
Molecular Weight152.39 g/mol
Exact Mass152.02
IUPAC Name—
SMILES[B]c1ccc(CO)c(Cl)c1
InChIInChI=1S/C7H6BClO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKeyBFZMYMVCUQHZBE-UHFFFAOYSA-N
XLogP0.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.39
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 89303094?
The IUPAC name of CID 89303094 (CID 89303094) is not available.
What is the SMILES notation for CID 89303094?
The canonical SMILES for CID 89303094 is [B]c1ccc(CO)c(Cl)c1.
What is the InChIKey of CID 89303094?
The InChIKey is BFZMYMVCUQHZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BClO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2.
What are the key properties of CID 89303094?
CID 89303094 has a molecular weight of 152.39 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89303094 is sourced from PubChem (CID 89303094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).