CID 173205366

C10H12BFeNiO — CID 173205366

IUPAC—
SMILESC.C1=Cc2ccccc2OC1.[B].[Fe].[Ni]
InChIInChI=1S/C9H8O.CH4.B.Fe.Ni/c1-2-6-9-8(4-1)5-3-7-10-9;;;;/h1-6H,7H2;1H4;;;
InChIKeyUUBSJRBJXFJECY-UHFFFAOYSA-N
MW273.56 g/mol
LogP2.34
Rot. Bonds

About CID 173205366

CID 173205366 (PubChem CID 173205366) has the molecular formula C10H12BFeNiO and a molecular weight of 273.56 g/mol.

Molecular Properties

Compound NameCID 173205366
PubChem CID173205366
Molecular FormulaC10H12BFeNiO
Molecular Weight273.56 g/mol
Exact Mass272.97
IUPAC Name—
SMILESC.C1=Cc2ccccc2OC1.[B].[Fe].[Ni]
InChIInChI=1S/C9H8O.CH4.B.Fe.Ni/c1-2-6-9-8(4-1)5-3-7-10-9;;;;/h1-6H,7H2;1H4;;;
InChIKeyUUBSJRBJXFJECY-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 52.34
H-Bond Donors ≤ 50
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 173205366?
The IUPAC name of CID 173205366 (CID 173205366) is not available.
What is the SMILES notation for CID 173205366?
The canonical SMILES for CID 173205366 is C.C1=Cc2ccccc2OC1.[B].[Fe].[Ni].
What is the InChIKey of CID 173205366?
The InChIKey is UUBSJRBJXFJECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.CH4.B.Fe.Ni/c1-2-6-9-8(4-1)5-3-7-10-9;;;;/h1-6H,7H2;1H4;;;.
What are the key properties of CID 173205366?
CID 173205366 has a molecular weight of 273.56 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173205366 is sourced from PubChem (CID 173205366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).