calcium;hydride;bis(nitric acid);hydrochloride

H5CaClN2O6 — CID 173046786

IUPACcalcium;hydride;bis(nitric acid);hydrochloride
SMILESCl.O=[N+]([O-])O.O=[N+]([O-])O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.ClH.2HNO3.2H/c;;2*2-1(3)4;;/h;1H;2*(H,2,3,4);;/q+2;;;;2*-1
InChIKeyYIKLTIIXEGDUSU-UHFFFAOYSA-N
MW204.58 g/mol
LogP-0.43
Rot. Bonds

About calcium;hydride;bis(nitric acid);hydrochloride

calcium;hydride;bis(nitric acid);hydrochloride (PubChem CID 173046786) has the molecular formula H5CaClN2O6 and a molecular weight of 204.58 g/mol. Its IUPAC name is calcium;hydride;bis(nitric acid);hydrochloride.

Molecular Properties

Compound Namecalcium;hydride;bis(nitric acid);hydrochloride
PubChem CID173046786
Molecular FormulaH5CaClN2O6
Molecular Weight204.58 g/mol
Exact Mass203.95
IUPAC Namecalcium;hydride;bis(nitric acid);hydrochloride
SMILESCl.O=[N+]([O-])O.O=[N+]([O-])O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.ClH.2HNO3.2H/c;;2*2-1(3)4;;/h;1H;2*(H,2,3,4);;/q+2;;;;2*-1
InChIKeyYIKLTIIXEGDUSU-UHFFFAOYSA-N
XLogP-0.43
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

calcium;hydride;nitric acid;zinc;hydrochloride
CID 173331234
tricalcium;hydride;nitric acid
CID 173351072
calcium;magnesium;hydride;bis(nitric acid)
CID 173141921
pentapotassium;hydride;pentadecakis(nitric acid)
CID 173454333
dipotassium;hydride;nitric acid
CID 173026465
azane;nitric acid;hydrochloride
CID 173035617
sodium;hydride;nitric acid
CID 174891443
potassium;hydride;tetrakis(nitric acid)
CID 173316593
magnesium;hydride;tris(nitric acid)
CID 173386256
barium(2+);hydride;nitric acid
CID 172995919
beryllium;hydride;nitric acid;trihydrate
CID 173051038
potassium;hydride;nitric acid;silver
CID 173442330

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;bis(nitric acid);hydrochloride?
The IUPAC name of calcium;hydride;bis(nitric acid);hydrochloride (CID 173046786) is calcium;hydride;bis(nitric acid);hydrochloride.
What is the SMILES notation for calcium;hydride;bis(nitric acid);hydrochloride?
The canonical SMILES for calcium;hydride;bis(nitric acid);hydrochloride is Cl.O=[N+]([O-])O.O=[N+]([O-])O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;bis(nitric acid);hydrochloride?
The InChIKey is YIKLTIIXEGDUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.ClH.2HNO3.2H/c;;2*2-1(3)4;;/h;1H;2*(H,2,3,4);;/q+2;;;;2*-1.
What are the key properties of calcium;hydride;bis(nitric acid);hydrochloride?
calcium;hydride;bis(nitric acid);hydrochloride has a molecular weight of 204.58 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;bis(nitric acid);hydrochloride is sourced from PubChem (CID 173046786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).