2,4-dichlorobenzenediazonium;trichloroiron;chloride

C6H3Cl6FeN2 — CID 139974846

IUPAC2,4-dichlorobenzenediazonium;trichloroiron;chloride
SMILESCl[Fe](Cl)Cl.N#[N+]c1ccc(Cl)cc1Cl.[Cl-]
InChIInChI=1S/C6H3Cl2N2.4ClH.Fe/c7-4-1-2-6(10-9)5(8)3-4;;;;;/h1-3H;4*1H;/q+1;;;;;+3/p-4
InChIKeyABNWGIOCZRYRGL-UHFFFAOYSA-J
MW371.67 g/mol
LogP2.55
Rot. Bonds

About 2,4-dichlorobenzenediazonium;trichloroiron;chloride

2,4-dichlorobenzenediazonium;trichloroiron;chloride (PubChem CID 139974846) has the molecular formula C6H3Cl6FeN2 and a molecular weight of 371.67 g/mol. Its IUPAC name is 2,4-dichlorobenzenediazonium;trichloroiron;chloride.

Molecular Properties

Compound Name2,4-dichlorobenzenediazonium;trichloroiron;chloride
PubChem CID139974846
Molecular FormulaC6H3Cl6FeN2
Molecular Weight371.67 g/mol
Exact Mass368.78
IUPAC Name2,4-dichlorobenzenediazonium;trichloroiron;chloride
SMILESCl[Fe](Cl)Cl.N#[N+]c1ccc(Cl)cc1Cl.[Cl-]
InChIInChI=1S/C6H3Cl2N2.4ClH.Fe/c7-4-1-2-6(10-9)5(8)3-4;;;;;/h1-3H;4*1H;/q+1;;;;;+3/p-4
InChIKeyABNWGIOCZRYRGL-UHFFFAOYSA-J
XLogP2.55
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,4-dichlorobenzenediazonium hexafluorophosphate
CID 18471224
4-chloro-2-ethylbenzenediazonium
CID 88574600
bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate
CID 56844299
2,5-dichlorobenzenediazonium hexafluorophosphate
CID 22912688
2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate
CID 19908751
3,5-dichloro-2-hydroxybenzenediazonium
CID 13461331
2,4-dichloroaniline;molecular nitrogen
CID 69010854
2-bromo-5-chlorobenzenediazonium tetrafluoroborate
CID 82973544
1,4-dichloro-2-(diazonioamino)benzene
CID 21276638
4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate
CID 175554622
formonitrile;1,2,4-trichlorobenzene
CID 174386520
2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate
CID 175412501

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorobenzenediazonium;trichloroiron;chloride?
The IUPAC name of 2,4-dichlorobenzenediazonium;trichloroiron;chloride (CID 139974846) is 2,4-dichlorobenzenediazonium;trichloroiron;chloride.
What is the SMILES notation for 2,4-dichlorobenzenediazonium;trichloroiron;chloride?
The canonical SMILES for 2,4-dichlorobenzenediazonium;trichloroiron;chloride is Cl[Fe](Cl)Cl.N#[N+]c1ccc(Cl)cc1Cl.[Cl-].
What is the InChIKey of 2,4-dichlorobenzenediazonium;trichloroiron;chloride?
The InChIKey is ABNWGIOCZRYRGL-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H3Cl2N2.4ClH.Fe/c7-4-1-2-6(10-9)5(8)3-4;;;;;/h1-3H;4*1H;/q+1;;;;;+3/p-4.
What are the key properties of 2,4-dichlorobenzenediazonium;trichloroiron;chloride?
2,4-dichlorobenzenediazonium;trichloroiron;chloride has a molecular weight of 371.67 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorobenzenediazonium;trichloroiron;chloride is sourced from PubChem (CID 139974846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).