cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate

C8H18Cl2CoN2O7 — CID 67432245

IUPACcobalt(2+);2-cyanobenzamide;dichloride;hexahydrate
SMILESN#Cc1ccccc1C(N)=O.O.O.O.O.O.O.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C8H6N2O.2ClH.Co.6H2O/c9-5-6-3-1-2-4-7(6)8(10)11;;;;;;;;;/h1-4H,(H2,10,11);2*1H;;6*1H2/q;;;+2;;;;;;/p-2
InChIKeyXJJRABUEYCDTDV-UHFFFAOYSA-L
MW384.08 g/mol
LogP-10.29
Rot. Bonds1

About cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate

cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate (PubChem CID 67432245) has the molecular formula C8H18Cl2CoN2O7 and a molecular weight of 384.08 g/mol. Its IUPAC name is cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate.

Molecular Properties

Compound Namecobalt(2+);2-cyanobenzamide;dichloride;hexahydrate
PubChem CID67432245
Molecular FormulaC8H18Cl2CoN2O7
Molecular Weight384.08 g/mol
Exact Mass382.98
IUPAC Namecobalt(2+);2-cyanobenzamide;dichloride;hexahydrate
SMILESN#Cc1ccccc1C(N)=O.O.O.O.O.O.O.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C8H6N2O.2ClH.Co.6H2O/c9-5-6-3-1-2-4-7(6)8(10)11;;;;;;;;;/h1-4H,(H2,10,11);2*1H;;6*1H2/q;;;+2;;;;;;/p-2
InChIKeyXJJRABUEYCDTDV-UHFFFAOYSA-L
XLogP-10.29
TPSA255.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.08
LogP ≤ 5-10.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate?
The IUPAC name of cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate (CID 67432245) is cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate.
What is the SMILES notation for cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate?
The canonical SMILES for cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate is N#Cc1ccccc1C(N)=O.O.O.O.O.O.O.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate?
The InChIKey is XJJRABUEYCDTDV-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6N2O.2ClH.Co.6H2O/c9-5-6-3-1-2-4-7(6)8(10)11;;;;;;;;;/h1-4H,(H2,10,11);2*1H;;6*1H2/q;;;+2;;;;;;/p-2.
What are the key properties of cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate?
cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate has a molecular weight of 384.08 g/mol, XLogP of -10.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate is sourced from PubChem (CID 67432245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).