calcium;disodium;chlorate;dichloride

CaCl3Na2O3+ — CID 172740828

IUPACcalcium;disodium;chlorate;dichloride
SMILES[Ca+2].[Cl-].[Cl-].[Na+].[Na+].[O-][Cl+2]([O-])[O-]
InChIInChI=1S/Ca.ClO3.2ClH.2Na/c;2-1(3)4;;;;/h;;2*1H;;/q+2;-1;;;2*+1/p-2
InChIKeyBFTQFGYVAPSUPY-UHFFFAOYSA-L
MW240.41 g/mol
LogP-15.93
Rot. Bonds

About calcium;disodium;chlorate;dichloride

calcium;disodium;chlorate;dichloride (PubChem CID 172740828) has the molecular formula CaCl3Na2O3+ and a molecular weight of 240.41 g/mol. Its IUPAC name is calcium;disodium;chlorate;dichloride.

Molecular Properties

Compound Namecalcium;disodium;chlorate;dichloride
PubChem CID172740828
Molecular FormulaCaCl3Na2O3+
Molecular Weight240.41 g/mol
Exact Mass238.83
IUPAC Namecalcium;disodium;chlorate;dichloride
SMILES[Ca+2].[Cl-].[Cl-].[Na+].[Na+].[O-][Cl+2]([O-])[O-]
InChIInChI=1S/Ca.ClO3.2ClH.2Na/c;2-1(3)4;;;;/h;;2*1H;;/q+2;-1;;;2*+1/p-2
InChIKeyBFTQFGYVAPSUPY-UHFFFAOYSA-L
XLogP-15.93
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 5-15.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of calcium;disodium;chlorate;dichloride?
The IUPAC name of calcium;disodium;chlorate;dichloride (CID 172740828) is calcium;disodium;chlorate;dichloride.
What is the SMILES notation for calcium;disodium;chlorate;dichloride?
The canonical SMILES for calcium;disodium;chlorate;dichloride is [Ca+2].[Cl-].[Cl-].[Na+].[Na+].[O-][Cl+2]([O-])[O-].
What is the InChIKey of calcium;disodium;chlorate;dichloride?
The InChIKey is BFTQFGYVAPSUPY-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.ClO3.2ClH.2Na/c;2-1(3)4;;;;/h;;2*1H;;/q+2;-1;;;2*+1/p-2.
What are the key properties of calcium;disodium;chlorate;dichloride?
calcium;disodium;chlorate;dichloride has a molecular weight of 240.41 g/mol, XLogP of -15.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;disodium;chlorate;dichloride is sourced from PubChem (CID 172740828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).