cobalt(3+);1H-inden-1-ylmethanone;dichloride

C10H7Cl2CoO — CID 87628331

IUPACcobalt(3+);1H-inden-1-ylmethanone;dichloride
SMILESO=[C-]C1C=Cc2ccccc21.[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C10H7O.2ClH.Co/c11-7-9-6-5-8-3-1-2-4-10(8)9;;;/h1-6,9H;2*1H;/q-1;;;+3/p-2
InChIKeyUTSHHVUIZDSFEN-UHFFFAOYSA-L
MW273.00 g/mol
LogP-4.09
Rot. Bonds1

About cobalt(3+);1H-inden-1-ylmethanone;dichloride

cobalt(3+);1H-inden-1-ylmethanone;dichloride (PubChem CID 87628331) has the molecular formula C10H7Cl2CoO and a molecular weight of 273.00 g/mol. Its IUPAC name is cobalt(3+);1H-inden-1-ylmethanone;dichloride.

Molecular Properties

Compound Namecobalt(3+);1H-inden-1-ylmethanone;dichloride
PubChem CID87628331
Molecular FormulaC10H7Cl2CoO
Molecular Weight273.00 g/mol
Exact Mass271.92
IUPAC Namecobalt(3+);1H-inden-1-ylmethanone;dichloride
SMILESO=[C-]C1C=Cc2ccccc21.[Cl-].[Cl-].[Co+3]
InChIInChI=1S/C10H7O.2ClH.Co/c11-7-9-6-5-8-3-1-2-4-10(8)9;;;/h1-6,9H;2*1H;/q-1;;;+3/p-2
InChIKeyUTSHHVUIZDSFEN-UHFFFAOYSA-L
XLogP-4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.00
LogP ≤ 5-4.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);1H-inden-1-ylmethanone;dichloride?
The IUPAC name of cobalt(3+);1H-inden-1-ylmethanone;dichloride (CID 87628331) is cobalt(3+);1H-inden-1-ylmethanone;dichloride.
What is the SMILES notation for cobalt(3+);1H-inden-1-ylmethanone;dichloride?
The canonical SMILES for cobalt(3+);1H-inden-1-ylmethanone;dichloride is O=[C-]C1C=Cc2ccccc21.[Cl-].[Cl-].[Co+3].
What is the InChIKey of cobalt(3+);1H-inden-1-ylmethanone;dichloride?
The InChIKey is UTSHHVUIZDSFEN-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H7O.2ClH.Co/c11-7-9-6-5-8-3-1-2-4-10(8)9;;;/h1-6,9H;2*1H;/q-1;;;+3/p-2.
What are the key properties of cobalt(3+);1H-inden-1-ylmethanone;dichloride?
cobalt(3+);1H-inden-1-ylmethanone;dichloride has a molecular weight of 273.00 g/mol, XLogP of -4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);1H-inden-1-ylmethanone;dichloride is sourced from PubChem (CID 87628331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).