nitric acid;sulfurochloridic acid

H2ClNO6S — CID 23373927

IUPACnitric acid;sulfurochloridic acid
SMILESO=S(=O)(O)Cl.O=[N+]([O-])O
InChIInChI=1S/ClHO3S.HNO3/c1-5(2,3)4;2-1(3)4/h(H,2,3,4);(H,2,3,4)
InChIKeyDFXLXHODAXDGNW-UHFFFAOYSA-N
MW179.54 g/mol
LogP-0.32
Rot. Bonds

About nitric acid;sulfurochloridic acid

nitric acid;sulfurochloridic acid (PubChem CID 23373927) has the molecular formula H2ClNO6S and a molecular weight of 179.54 g/mol. Its IUPAC name is nitric acid;sulfurochloridic acid.

Molecular Properties

Compound Namenitric acid;sulfurochloridic acid
PubChem CID23373927
Molecular FormulaH2ClNO6S
Molecular Weight179.54 g/mol
Exact Mass178.93
IUPAC Namenitric acid;sulfurochloridic acid
SMILESO=S(=O)(O)Cl.O=[N+]([O-])O
InChIInChI=1S/ClHO3S.HNO3/c1-5(2,3)4;2-1(3)4/h(H,2,3,4);(H,2,3,4)
InChIKeyDFXLXHODAXDGNW-UHFFFAOYSA-N
XLogP-0.32
TPSA117.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.54
LogP ≤ 5-0.32
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitric acid;sulfurochloridic acid?
The IUPAC name of nitric acid;sulfurochloridic acid (CID 23373927) is nitric acid;sulfurochloridic acid.
What is the SMILES notation for nitric acid;sulfurochloridic acid?
The canonical SMILES for nitric acid;sulfurochloridic acid is O=S(=O)(O)Cl.O=[N+]([O-])O.
What is the InChIKey of nitric acid;sulfurochloridic acid?
The InChIKey is DFXLXHODAXDGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/ClHO3S.HNO3/c1-5(2,3)4;2-1(3)4/h(H,2,3,4);(H,2,3,4).
What are the key properties of nitric acid;sulfurochloridic acid?
nitric acid;sulfurochloridic acid has a molecular weight of 179.54 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;sulfurochloridic acid is sourced from PubChem (CID 23373927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).