CID 175597573

C7H6BClO2 — CID 175597573

IUPAC—
SMILES[B]Oc1ccc(Cl)cc1OC
InChIInChI=1S/C7H6BClO2/c1-10-7-4-5(9)2-3-6(7)11-8/h2-4H,1H3
InChIKeyGMNCNQLUWFEXPK-UHFFFAOYSA-N
MW168.39 g/mol
LogP1.81
Rot. Bonds2

About CID 175597573

CID 175597573 (PubChem CID 175597573) has the molecular formula C7H6BClO2 and a molecular weight of 168.39 g/mol.

Molecular Properties

Compound NameCID 175597573
PubChem CID175597573
Molecular FormulaC7H6BClO2
Molecular Weight168.39 g/mol
Exact Mass168.01
IUPAC Name—
SMILES[B]Oc1ccc(Cl)cc1OC
InChIInChI=1S/C7H6BClO2/c1-10-7-4-5(9)2-3-6(7)11-8/h2-4H,1H3
InChIKeyGMNCNQLUWFEXPK-UHFFFAOYSA-N
XLogP1.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.39
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 175597573?
The IUPAC name of CID 175597573 (CID 175597573) is not available.
What is the SMILES notation for CID 175597573?
The canonical SMILES for CID 175597573 is [B]Oc1ccc(Cl)cc1OC.
What is the InChIKey of CID 175597573?
The InChIKey is GMNCNQLUWFEXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BClO2/c1-10-7-4-5(9)2-3-6(7)11-8/h2-4H,1H3.
What are the key properties of CID 175597573?
CID 175597573 has a molecular weight of 168.39 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175597573 is sourced from PubChem (CID 175597573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).