CID 23417274

C4Cl2N4O4P- — CID 23417274

IUPAC—
SMILESN#CO[P-](Cl)(Cl)(OC#N)(OC#N)OC#N
InChIInChI=1S/C4Cl2N4O4P/c5-15(6,11-1-7,12-2-8,13-3-9)14-4-10/q-1
InChIKeyZEBGTXDUMDZMPW-UHFFFAOYSA-N
MW269.95 g/mol
LogP2.03
Rot. Bonds4

About CID 23417274

CID 23417274 (PubChem CID 23417274) has the molecular formula C4Cl2N4O4P- and a molecular weight of 269.95 g/mol.

Molecular Properties

Compound NameCID 23417274
PubChem CID23417274
Molecular FormulaC4Cl2N4O4P-
Molecular Weight269.95 g/mol
Exact Mass268.90
IUPAC Name—
SMILESN#CO[P-](Cl)(Cl)(OC#N)(OC#N)OC#N
InChIInChI=1S/C4Cl2N4O4P/c5-15(6,11-1-7,12-2-8,13-3-9)14-4-10/q-1
InChIKeyZEBGTXDUMDZMPW-UHFFFAOYSA-N
XLogP2.03
TPSA132.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.95
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 23417379
CID 23417379
CID 23417369
CID 23417369
CID 14173053
CID 14173053
(fluoroamino) cyanate
CID 168867713
ethyl cyanate;methane
CID 157371162
sodium;hydride;phosphanyl cyanate
CID 174818007
(dimethoxyamino) cyanate
CID 167295217
[bromo(chloro)-λ3-iodanyl] cyanate
CID 150516200
acetonitrile;hydron
CID 22154984
sodium;fluoro cyanate;hydride
CID 175390486
(cyanatodiazenyl) cyanate
CID 175722375
pyrazine-1,4-dicarbonitrile
CID 87947804

Frequently Asked Questions

What is the IUPAC name of CID 23417274?
The IUPAC name of CID 23417274 (CID 23417274) is not available.
What is the SMILES notation for CID 23417274?
The canonical SMILES for CID 23417274 is N#CO[P-](Cl)(Cl)(OC#N)(OC#N)OC#N.
What is the InChIKey of CID 23417274?
The InChIKey is ZEBGTXDUMDZMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2N4O4P/c5-15(6,11-1-7,12-2-8,13-3-9)14-4-10/q-1.
What are the key properties of CID 23417274?
CID 23417274 has a molecular weight of 269.95 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23417274 is sourced from PubChem (CID 23417274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).