trichloromethoxy nitrate

CCl3NO4 — CID 13380264

IUPACtrichloromethoxy nitrate
SMILESO=[N+]([O-])OOC(Cl)(Cl)Cl
InChIInChI=1S/CCl3NO4/c2-1(3,4)8-9-5(6)7
InChIKeyJEGIJQOYLRITHQ-UHFFFAOYSA-N
MW196.37 g/mol
LogP1.45
Rot. Bonds2

About trichloromethoxy nitrate

trichloromethoxy nitrate (PubChem CID 13380264) has the molecular formula CCl3NO4 and a molecular weight of 196.37 g/mol. Its IUPAC name is trichloromethoxy nitrate.

Molecular Properties

Compound Nametrichloromethoxy nitrate
PubChem CID13380264
Molecular FormulaCCl3NO4
Molecular Weight196.37 g/mol
Exact Mass194.89
IUPAC Nametrichloromethoxy nitrate
SMILESO=[N+]([O-])OOC(Cl)(Cl)Cl
InChIInChI=1S/CCl3NO4/c2-1(3,4)8-9-5(6)7
InChIKeyJEGIJQOYLRITHQ-UHFFFAOYSA-N
XLogP1.45
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[dichloro(fluoro)methoxy] nitrate
CID 522385
nitro 2-chloroethaneperoxoate
CID 55298204
chloromethoxy nitrate
CID 55302221
chloro nitrate
CID 174442535
(1-hydroxy-2-methylbut-3-en-2-yl)oxy nitrate
CID 177417708
sulfane;trichloro(nitro)methane
CID 158062482
chloro nitrate;stibane
CID 174852416
nitro N-oxocarbamoperoxoate
CID 150557136
beryllium dinitrate
CID 26126
1,1,3-trichloro-1-nitropropan-2-one
CID 11041940
alumane;chloro nitrate;hydrate
CID 174985716
nitric acid;ruthenium;dinitrate
CID 173436166

Frequently Asked Questions

What is the IUPAC name of trichloromethoxy nitrate?
The IUPAC name of trichloromethoxy nitrate (CID 13380264) is trichloromethoxy nitrate.
What is the SMILES notation for trichloromethoxy nitrate?
The canonical SMILES for trichloromethoxy nitrate is O=[N+]([O-])OOC(Cl)(Cl)Cl.
What is the InChIKey of trichloromethoxy nitrate?
The InChIKey is JEGIJQOYLRITHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl3NO4/c2-1(3,4)8-9-5(6)7.
What are the key properties of trichloromethoxy nitrate?
trichloromethoxy nitrate has a molecular weight of 196.37 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trichloromethoxy nitrate is sourced from PubChem (CID 13380264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).