2-bromo-5-chlorobenzenediazonium tetrafluoroborate

C6H3BBrClF4N2 — CID 82973544

IUPAC2-bromo-5-chlorobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cc(Cl)ccc1Br
InChIInChI=1S/C6H3BrClN2.BF4/c7-5-2-1-4(8)3-6(5)10-9;2-1(3,4)5/h1-3H;/q+1;-1
InChIKeyJTWGQNMVCOGRDM-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.89
Rot. Bonds

About 2-bromo-5-chlorobenzenediazonium tetrafluoroborate

2-bromo-5-chlorobenzenediazonium tetrafluoroborate (PubChem CID 82973544) has the molecular formula C6H3BBrClF4N2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-bromo-5-chlorobenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2-bromo-5-chlorobenzenediazonium tetrafluoroborate
PubChem CID82973544
Molecular FormulaC6H3BBrClF4N2
Molecular Weight305.26 g/mol
Exact Mass303.92
IUPAC Name2-bromo-5-chlorobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cc(Cl)ccc1Br
InChIInChI=1S/C6H3BrClN2.BF4/c7-5-2-1-4(8)3-6(5)10-9;2-1(3,4)5/h1-3H;/q+1;-1
InChIKeyJTWGQNMVCOGRDM-UHFFFAOYSA-N
XLogP4.89
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.89
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

2,5-dichlorobenzenediazonium hexafluorophosphate
CID 22912688
2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate
CID 175412501
2,4-dichlorobenzenediazonium hexafluorophosphate
CID 18471224
4-chloro-2-(2-chlorobenzoyl)benzenediazonium tetrafluoroborate
CID 175554622
2-chloro-3-fluorobenzenediazonium tetrafluoroborate
CID 87707531
2,4-dibromobenzenediazonium
CID 14199097
(2-bromo-5-chlorophenyl) carbamate
CID 174508201
2,4-dibromobenzenediazonium chloride
CID 14199096
4-chloro-2-ethylbenzenediazonium
CID 88574600
2,4-difluoro-3-methylbenzenediazonium tetrafluoroborate
CID 23359005
(2-bromo-5-chlorophenyl)hydrazine
CID 58110901
3-bromo-4-methylbenzenediazonium tetrafluoroborate
CID 82973640

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chlorobenzenediazonium tetrafluoroborate?
The IUPAC name of 2-bromo-5-chlorobenzenediazonium tetrafluoroborate (CID 82973544) is 2-bromo-5-chlorobenzenediazonium tetrafluoroborate.
What is the SMILES notation for 2-bromo-5-chlorobenzenediazonium tetrafluoroborate?
The canonical SMILES for 2-bromo-5-chlorobenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chlorobenzenediazonium tetrafluoroborate?
The InChIKey is JTWGQNMVCOGRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN2.BF4/c7-5-2-1-4(8)3-6(5)10-9;2-1(3,4)5/h1-3H;/q+1;-1.
What are the key properties of 2-bromo-5-chlorobenzenediazonium tetrafluoroborate?
2-bromo-5-chlorobenzenediazonium tetrafluoroborate has a molecular weight of 305.26 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chlorobenzenediazonium tetrafluoroborate is sourced from PubChem (CID 82973544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).