chloro nitrate

Cl2N2O6 — CID 174442535

IUPACchloro nitrate
SMILESO=[N+]([O-])OCl.O=[N+]([O-])OCl
InChIInChI=1S/2ClNO3/c2*1-5-2(3)4
InChIKeyUMIHFFWNAULWJP-UHFFFAOYSA-N
MW194.91 g/mol
LogP0.70
Rot. Bonds2

About chloro nitrate

chloro nitrate (PubChem CID 174442535) has the molecular formula Cl2N2O6 and a molecular weight of 194.91 g/mol. Its IUPAC name is chloro nitrate.

Molecular Properties

Compound Namechloro nitrate
PubChem CID174442535
Molecular FormulaCl2N2O6
Molecular Weight194.91 g/mol
Exact Mass193.91
IUPAC Namechloro nitrate
SMILESO=[N+]([O-])OCl.O=[N+]([O-])OCl
InChIInChI=1S/2ClNO3/c2*1-5-2(3)4
InChIKeyUMIHFFWNAULWJP-UHFFFAOYSA-N
XLogP0.70
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.91
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of chloro nitrate?
The IUPAC name of chloro nitrate (CID 174442535) is chloro nitrate.
What is the SMILES notation for chloro nitrate?
The canonical SMILES for chloro nitrate is O=[N+]([O-])OCl.O=[N+]([O-])OCl.
What is the InChIKey of chloro nitrate?
The InChIKey is UMIHFFWNAULWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClNO3/c2*1-5-2(3)4.
What are the key properties of chloro nitrate?
chloro nitrate has a molecular weight of 194.91 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro nitrate is sourced from PubChem (CID 174442535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).