calcium;formamide;dichloride

CH3CaCl2NO — CID 175585018

IUPACcalcium;formamide;dichloride
SMILESNC=O.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/CH3NO.Ca.2ClH/c2-1-3;;;/h1H,(H2,2,3);;2*1H/q;+2;;/p-2
InChIKeyQGDSGMNKCIHUAE-UHFFFAOYSA-L
MW156.03 g/mol
LogP-7.27
Rot. Bonds

About calcium;formamide;dichloride

calcium;formamide;dichloride (PubChem CID 175585018) has the molecular formula CH3CaCl2NO and a molecular weight of 156.03 g/mol. Its IUPAC name is calcium;formamide;dichloride.

Molecular Properties

Compound Namecalcium;formamide;dichloride
PubChem CID175585018
Molecular FormulaCH3CaCl2NO
Molecular Weight156.03 g/mol
Exact Mass154.92
IUPAC Namecalcium;formamide;dichloride
SMILESNC=O.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/CH3NO.Ca.2ClH/c2-1-3;;;/h1H,(H2,2,3);;2*1H/q;+2;;/p-2
InChIKeyQGDSGMNKCIHUAE-UHFFFAOYSA-L
XLogP-7.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 5-7.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;formamide;dichloride?
The IUPAC name of calcium;formamide;dichloride (CID 175585018) is calcium;formamide;dichloride.
What is the SMILES notation for calcium;formamide;dichloride?
The canonical SMILES for calcium;formamide;dichloride is NC=O.[Ca+2].[Cl-].[Cl-].
What is the InChIKey of calcium;formamide;dichloride?
The InChIKey is QGDSGMNKCIHUAE-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3NO.Ca.2ClH/c2-1-3;;;/h1H,(H2,2,3);;2*1H/q;+2;;/p-2.
What are the key properties of calcium;formamide;dichloride?
calcium;formamide;dichloride has a molecular weight of 156.03 g/mol, XLogP of -7.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;formamide;dichloride is sourced from PubChem (CID 175585018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).