CID 89379549

C7H6BClO — CID 89379549

IUPAC—
SMILES[B]c1cc(Cl)cc(C)c1O
InChIInChI=1S/C7H6BClO/c1-4-2-5(9)3-6(8)7(4)10/h2-3,10H,1H3
InChIKeyGJWLQZCLMMQQJU-UHFFFAOYSA-N
MW152.39 g/mol
LogP1.15
Rot. Bonds

About CID 89379549

CID 89379549 (PubChem CID 89379549) has the molecular formula C7H6BClO and a molecular weight of 152.39 g/mol.

Molecular Properties

Compound NameCID 89379549
PubChem CID89379549
Molecular FormulaC7H6BClO
Molecular Weight152.39 g/mol
Exact Mass152.02
IUPAC Name—
SMILES[B]c1cc(Cl)cc(C)c1O
InChIInChI=1S/C7H6BClO/c1-4-2-5(9)3-6(8)7(4)10/h2-3,10H,1H3
InChIKeyGJWLQZCLMMQQJU-UHFFFAOYSA-N
XLogP1.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.39
LogP ≤ 51.15
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 89379549?
The IUPAC name of CID 89379549 (CID 89379549) is not available.
What is the SMILES notation for CID 89379549?
The canonical SMILES for CID 89379549 is [B]c1cc(Cl)cc(C)c1O.
What is the InChIKey of CID 89379549?
The InChIKey is GJWLQZCLMMQQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BClO/c1-4-2-5(9)3-6(8)7(4)10/h2-3,10H,1H3.
What are the key properties of CID 89379549?
CID 89379549 has a molecular weight of 152.39 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89379549 is sourced from PubChem (CID 89379549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).