2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate

C6H3ClF2N2O4S — CID 22077243

IUPAC2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate
SMILESN#[N+]c1cc(F)c(F)cc1Cl.O=S(=O)([O-])O
InChIInChI=1S/C6H2ClF2N2.H2O4S/c7-3-1-4(8)5(9)2-6(3)11-10;1-5(2,3)4/h1-2H;(H2,1,2,3,4)/q+1;/p-1
InChIKeyGQMLBEGZIQRDRN-UHFFFAOYSA-M
MW272.62 g/mol
LogP2.11
Rot. Bonds

About 2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate

2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate (PubChem CID 22077243) has the molecular formula C6H3ClF2N2O4S and a molecular weight of 272.62 g/mol. Its IUPAC name is 2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate.

Molecular Properties

Compound Name2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate
PubChem CID22077243
Molecular FormulaC6H3ClF2N2O4S
Molecular Weight272.62 g/mol
Exact Mass271.95
IUPAC Name2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate
SMILESN#[N+]c1cc(F)c(F)cc1Cl.O=S(=O)([O-])O
InChIInChI=1S/C6H2ClF2N2.H2O4S/c7-3-1-4(8)5(9)2-6(3)11-10;1-5(2,3)4/h1-2H;(H2,1,2,3,4)/q+1;/p-1
InChIKeyGQMLBEGZIQRDRN-UHFFFAOYSA-M
XLogP2.11
TPSA105.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.62
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate?
The IUPAC name of 2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate (CID 22077243) is 2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate.
What is the SMILES notation for 2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate?
The canonical SMILES for 2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate is N#[N+]c1cc(F)c(F)cc1Cl.O=S(=O)([O-])O.
What is the InChIKey of 2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate?
The InChIKey is GQMLBEGZIQRDRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2ClF2N2.H2O4S/c7-3-1-4(8)5(9)2-6(3)11-10;1-5(2,3)4/h1-2H;(H2,1,2,3,4)/q+1;/p-1.
What are the key properties of 2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate?
2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate has a molecular weight of 272.62 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluorobenzenediazonium;hydrogen sulfate is sourced from PubChem (CID 22077243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).