CID 22924326

C7H8BO2P — CID 22924326

IUPAC—
SMILESPc1ccccc1.[B]C(=O)O
InChIInChI=1S/C6H7P.CHBO2/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5H,7H2;(H,3,4)
InChIKeyRJNGXAXLJLBZKA-UHFFFAOYSA-N
MW165.93 g/mol
LogP1.02
Rot. Bonds

About CID 22924326

CID 22924326 (PubChem CID 22924326) has the molecular formula C7H8BO2P and a molecular weight of 165.93 g/mol.

Molecular Properties

Compound NameCID 22924326
PubChem CID22924326
Molecular FormulaC7H8BO2P
Molecular Weight165.93 g/mol
Exact Mass166.04
IUPAC Name—
SMILESPc1ccccc1.[B]C(=O)O
InChIInChI=1S/C6H7P.CHBO2/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5H,7H2;(H,3,4)
InChIKeyRJNGXAXLJLBZKA-UHFFFAOYSA-N
XLogP1.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.93
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22924326?
The IUPAC name of CID 22924326 (CID 22924326) is not available.
What is the SMILES notation for CID 22924326?
The canonical SMILES for CID 22924326 is Pc1ccccc1.[B]C(=O)O.
What is the InChIKey of CID 22924326?
The InChIKey is RJNGXAXLJLBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7P.CHBO2/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5H,7H2;(H,3,4).
What are the key properties of CID 22924326?
CID 22924326 has a molecular weight of 165.93 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22924326 is sourced from PubChem (CID 22924326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).