2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate

C6H4BCl2F4N3 — CID 175412501

IUPAC2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl2N3.BF4/c7-4-1-2-6(10-11-9)5(8)3-4;2-1(3,4)5/h1-3,10H;/q+1;-1
InChIKeyPZADBQHBLDYKGU-UHFFFAOYSA-N
MW275.83 g/mol
LogP4.47
Rot. Bonds1

About 2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate

2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate (PubChem CID 175412501) has the molecular formula C6H4BCl2F4N3 and a molecular weight of 275.83 g/mol. Its IUPAC name is 2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate.

Molecular Properties

Compound Name2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate
PubChem CID175412501
Molecular FormulaC6H4BCl2F4N3
Molecular Weight275.83 g/mol
Exact Mass274.98
IUPAC Name2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl2N3.BF4/c7-4-1-2-6(10-11-9)5(8)3-4;2-1(3,4)5/h1-3,10H;/q+1;-1
InChIKeyPZADBQHBLDYKGU-UHFFFAOYSA-N
XLogP4.47
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-dichloro-2-(diazonioamino)benzene
CID 21276638
N,2,4-trichloroaniline
CID 134879862
2,4-dichloro-N-methylaniline
CID 2800935
2-bromo-5-chlorobenzenediazonium tetrafluoroborate
CID 82973544
(2,4-dichlorophenyl)hydrazine;methane
CID 54772277
2,4-dichlorobenzenediazonium hexafluorophosphate
CID 18471224
1-(2,4-dichlorophenyl)-2-methylhydrazine;ethane
CID 143596741
2-[(2,4-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103366905
2,4-dichlorobenzenediazonium;trichloroiron;chloride
CID 139974846
N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 54806465
2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate?
The IUPAC name of 2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate (CID 175412501) is 2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate.
What is the SMILES notation for 2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate?
The canonical SMILES for 2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate is F[B-](F)(F)F.N#[N+]Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate?
The InChIKey is PZADBQHBLDYKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N3.BF4/c7-4-1-2-6(10-11-9)5(8)3-4;2-1(3,4)5/h1-3,10H;/q+1;-1.
What are the key properties of 2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate?
2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate has a molecular weight of 275.83 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate is sourced from PubChem (CID 175412501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).