alumane;chloro nitrate;hydrate

H5AlClNO4 — CID 174985716

IUPACalumane;chloro nitrate;hydrate
SMILESO.O=[N+]([O-])OCl.[AlH3]
InChIInChI=1S/Al.ClNO3.H2O.3H/c;1-5-2(3)4;;;;/h;;1H2;;;
InChIKeyQLFZFMPDFOIXKN-UHFFFAOYSA-N
MW145.48 g/mol
LogP-1.66
Rot. Bonds1

About alumane;chloro nitrate;hydrate

alumane;chloro nitrate;hydrate (PubChem CID 174985716) has the molecular formula H5AlClNO4 and a molecular weight of 145.48 g/mol. Its IUPAC name is alumane;chloro nitrate;hydrate.

Molecular Properties

Compound Namealumane;chloro nitrate;hydrate
PubChem CID174985716
Molecular FormulaH5AlClNO4
Molecular Weight145.48 g/mol
Exact Mass144.97
IUPAC Namealumane;chloro nitrate;hydrate
SMILESO.O=[N+]([O-])OCl.[AlH3]
InChIInChI=1S/Al.ClNO3.H2O.3H/c;1-5-2(3)4;;;;/h;;1H2;;;
InChIKeyQLFZFMPDFOIXKN-UHFFFAOYSA-N
XLogP-1.66
TPSA83.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.48
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

chloro nitrate
CID 174442535
chloro nitrate;stibane
CID 174852416
beryllium;nitrate;tetrahydrate
CID 19806872
beryllium;hydride;nitric acid;trihydrate
CID 173051038
chlorooxy-hydroxy-oxoazanium
CID 102438066
nitric acid;dodecahydrate
CID 172786901
tris(nitric acid);hexahydrate
CID 161328835
alumane;tris(nitric acid)
CID 173196891
alumane;hydroxy nitrate;zinc
CID 173333197
beryllium dinitrate
CID 26126
neodymium;nitric acid;pentahydrate
CID 173320282
europium;tris(nitric acid);hexahydrate
CID 121488051

Frequently Asked Questions

What is the IUPAC name of alumane;chloro nitrate;hydrate?
The IUPAC name of alumane;chloro nitrate;hydrate (CID 174985716) is alumane;chloro nitrate;hydrate.
What is the SMILES notation for alumane;chloro nitrate;hydrate?
The canonical SMILES for alumane;chloro nitrate;hydrate is O.O=[N+]([O-])OCl.[AlH3].
What is the InChIKey of alumane;chloro nitrate;hydrate?
The InChIKey is QLFZFMPDFOIXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.ClNO3.H2O.3H/c;1-5-2(3)4;;;;/h;;1H2;;;.
What are the key properties of alumane;chloro nitrate;hydrate?
alumane;chloro nitrate;hydrate has a molecular weight of 145.48 g/mol, XLogP of -1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;chloro nitrate;hydrate is sourced from PubChem (CID 174985716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).