bromo peroxycyanate

CBrNO2 — CID 162697951

IUPACbromo peroxycyanate
SMILESN#COOBr
InChIInChI=1S/CBrNO2/c2-5-4-1-3
InChIKeyMXVRFHZTEBCZJT-UHFFFAOYSA-N
MW137.92 g/mol
LogP0.73
Rot. Bonds1

About bromo peroxycyanate

bromo peroxycyanate (PubChem CID 162697951) has the molecular formula CBrNO2 and a molecular weight of 137.92 g/mol. Its IUPAC name is bromo peroxycyanate.

Molecular Properties

Compound Namebromo peroxycyanate
PubChem CID162697951
Molecular FormulaCBrNO2
Molecular Weight137.92 g/mol
Exact Mass136.91
IUPAC Namebromo peroxycyanate
SMILESN#COOBr
InChIInChI=1S/CBrNO2/c2-5-4-1-3
InChIKeyMXVRFHZTEBCZJT-UHFFFAOYSA-N
XLogP0.73
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.92
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

barium(2+);bromo cyanate;hydride
CID 174987279
azane;cyano dibromoboranylformate
CID 87284124
carbononitridic bromide
CID 160583865
germylformonitrile
CID 71356013
sodium;hydride;phosphanyl cyanate
CID 174818007
[bromo(chloro)-λ3-iodanyl] cyanate
CID 150516200
sodium;fluoro cyanate;hydride
CID 175390486
(cyanatodiazenyl) cyanate
CID 175722375
tricyanatostannyl cyanate
CID 141124665
cyanatosulfanyl cyanate
CID 54444276
potassium;amino cyanate;hydride
CID 174784610
azanide;bromopalladium(1+)
CID 175236441

Frequently Asked Questions

What is the IUPAC name of bromo peroxycyanate?
The IUPAC name of bromo peroxycyanate (CID 162697951) is bromo peroxycyanate.
What is the SMILES notation for bromo peroxycyanate?
The canonical SMILES for bromo peroxycyanate is N#COOBr.
What is the InChIKey of bromo peroxycyanate?
The InChIKey is MXVRFHZTEBCZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/CBrNO2/c2-5-4-1-3.
What are the key properties of bromo peroxycyanate?
bromo peroxycyanate has a molecular weight of 137.92 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo peroxycyanate is sourced from PubChem (CID 162697951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).