CID 176572843

C6H4BClFO2 — CID 176572843

IUPAC—
SMILESO[B]c1ccc(F)c(O)c1Cl
InChIInChI=1S/C6H4BClFO2/c8-5-3(7-11)1-2-4(9)6(5)10/h1-2,10-11H
InChIKeyIGJXHPVLYHPHKY-UHFFFAOYSA-N
MW173.36 g/mol
LogP0.42
Rot. Bonds1

About CID 176572843

CID 176572843 (PubChem CID 176572843) has the molecular formula C6H4BClFO2 and a molecular weight of 173.36 g/mol.

Molecular Properties

Compound NameCID 176572843
PubChem CID176572843
Molecular FormulaC6H4BClFO2
Molecular Weight173.36 g/mol
Exact Mass173.00
IUPAC Name—
SMILESO[B]c1ccc(F)c(O)c1Cl
InChIInChI=1S/C6H4BClFO2/c8-5-3(7-11)1-2-4(9)6(5)10/h1-2,10-11H
InChIKeyIGJXHPVLYHPHKY-UHFFFAOYSA-N
XLogP0.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
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 176572843?
The IUPAC name of CID 176572843 (CID 176572843) is not available.
What is the SMILES notation for CID 176572843?
The canonical SMILES for CID 176572843 is O[B]c1ccc(F)c(O)c1Cl.
What is the InChIKey of CID 176572843?
The InChIKey is IGJXHPVLYHPHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BClFO2/c8-5-3(7-11)1-2-4(9)6(5)10/h1-2,10-11H.
What are the key properties of CID 176572843?
CID 176572843 has a molecular weight of 173.36 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176572843 is sourced from PubChem (CID 176572843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).