CID 178137818

C6H7BOP — CID 178137818

IUPAC—
SMILESO[B]c1ccccc1P
InChIInChI=1S/C6H7BOP/c8-7-5-3-1-2-4-6(5)9/h1-4,8H,9H2
InChIKeyLADYNJNUMKZRQI-UHFFFAOYSA-N
MW136.91 g/mol
LogP-0.58
Rot. Bonds1

About CID 178137818

CID 178137818 (PubChem CID 178137818) has the molecular formula C6H7BOP and a molecular weight of 136.91 g/mol.

Molecular Properties

Compound NameCID 178137818
PubChem CID178137818
Molecular FormulaC6H7BOP
Molecular Weight136.91 g/mol
Exact Mass137.03
IUPAC Name—
SMILESO[B]c1ccccc1P
InChIInChI=1S/C6H7BOP/c8-7-5-3-1-2-4-6(5)9/h1-4,8H,9H2
InChIKeyLADYNJNUMKZRQI-UHFFFAOYSA-N
XLogP-0.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.91
LogP ≤ 5-0.58
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 178137818?
The IUPAC name of CID 178137818 (CID 178137818) is not available.
What is the SMILES notation for CID 178137818?
The canonical SMILES for CID 178137818 is O[B]c1ccccc1P.
What is the InChIKey of CID 178137818?
The InChIKey is LADYNJNUMKZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BOP/c8-7-5-3-1-2-4-6(5)9/h1-4,8H,9H2.
What are the key properties of CID 178137818?
CID 178137818 has a molecular weight of 136.91 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178137818 is sourced from PubChem (CID 178137818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).