2-(dichloroamino)benzenediazonium tetrafluoroborate

C6H4BCl2F4N3 — CID 21219859

IUPAC2-(dichloroamino)benzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccccc1N(Cl)Cl
InChIInChI=1S/C6H4Cl2N3.BF4/c7-11(8)6-4-2-1-3-5(6)10-9;2-1(3,4)5/h1-4H;/q+1;-1
InChIKeyOZRPUXMHYOUGNC-UHFFFAOYSA-N
MW275.83 g/mol
LogP4.59
Rot. Bonds1

About 2-(dichloroamino)benzenediazonium tetrafluoroborate

2-(dichloroamino)benzenediazonium tetrafluoroborate (PubChem CID 21219859) has the molecular formula C6H4BCl2F4N3 and a molecular weight of 275.83 g/mol. Its IUPAC name is 2-(dichloroamino)benzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2-(dichloroamino)benzenediazonium tetrafluoroborate
PubChem CID21219859
Molecular FormulaC6H4BCl2F4N3
Molecular Weight275.83 g/mol
Exact Mass274.98
IUPAC Name2-(dichloroamino)benzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccccc1N(Cl)Cl
InChIInChI=1S/C6H4Cl2N3.BF4/c7-11(8)6-4-2-1-3-5(6)10-9;2-1(3,4)5/h1-4H;/q+1;-1
InChIKeyOZRPUXMHYOUGNC-UHFFFAOYSA-N
XLogP4.59
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.83
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Phenylenediamine dihydrochloride
CID 11990
Benzenediazonium tetrafluoroborate
CID 5284485
Benzenediazonium chloride
CID 60992
4-Iodobenzene-1-diazonium; tetrafluoroboranuide
CID 11001648
Benzenamine, N,N-dichloro-
CID 155482
4-Fluorobenzene-1-diazonium; tetrafluoroboranuide
CID 11790468
Benzenediazonium, hexafluorophosphate(1-) (1:1)
CID 9717
(SP-4-2)-(1,2-Benzenediamine-kappaN1,kappaN2)dichloroplatinum
CID 93211
Benzene-o-diamine monohydrochloride
CID 5743464
Benzenediazonium fluoride
CID 14533789
Tetrafluorophenylenediamine
CID 18365815
Fluorophenylenediamine
CID 22486709

Frequently Asked Questions

What is the IUPAC name of 2-(dichloroamino)benzenediazonium tetrafluoroborate?
The IUPAC name of 2-(dichloroamino)benzenediazonium tetrafluoroborate (CID 21219859) is 2-(dichloroamino)benzenediazonium tetrafluoroborate.
What is the SMILES notation for 2-(dichloroamino)benzenediazonium tetrafluoroborate?
The canonical SMILES for 2-(dichloroamino)benzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccccc1N(Cl)Cl.
What is the InChIKey of 2-(dichloroamino)benzenediazonium tetrafluoroborate?
The InChIKey is OZRPUXMHYOUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N3.BF4/c7-11(8)6-4-2-1-3-5(6)10-9;2-1(3,4)5/h1-4H;/q+1;-1.
What are the key properties of 2-(dichloroamino)benzenediazonium tetrafluoroborate?
2-(dichloroamino)benzenediazonium tetrafluoroborate has a molecular weight of 275.83 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloroamino)benzenediazonium tetrafluoroborate is sourced from PubChem (CID 21219859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).