2-bromo-5-nitrobenzenediazonium tetrafluoroborate

C6H3BBrF4N3O2 — CID 82973448

IUPAC2-bromo-5-nitrobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C6H3BrN3O2.BF4/c7-5-2-1-4(10(11)12)3-6(5)9-8;2-1(3,4)5/h1-3H;/q+1;-1
InChIKeyAERYFDNLYGBLES-UHFFFAOYSA-N
MW315.82 g/mol
LogP4.14
Rot. Bonds1

About 2-bromo-5-nitrobenzenediazonium tetrafluoroborate

2-bromo-5-nitrobenzenediazonium tetrafluoroborate (PubChem CID 82973448) has the molecular formula C6H3BBrF4N3O2 and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-bromo-5-nitrobenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2-bromo-5-nitrobenzenediazonium tetrafluoroborate
PubChem CID82973448
Molecular FormulaC6H3BBrF4N3O2
Molecular Weight315.82 g/mol
Exact Mass314.94
IUPAC Name2-bromo-5-nitrobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C6H3BrN3O2.BF4/c7-5-2-1-4(10(11)12)3-6(5)9-8;2-1(3,4)5/h1-3H;/q+1;-1
InChIKeyAERYFDNLYGBLES-UHFFFAOYSA-N
XLogP4.14
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-chlorobenzenediazonium tetrafluoroborate
CID 82973544
2-iodo-4-nitrobenzenediazonium
CID 134895733
2-bromo-1-(diazonioamino)-4-nitrobenzene
CID 151722653
3-bromo-4-nitrobenzenediazonium tetrafluoroborate
CID 12714781
2-(dicyclohexylcarbamoyl)-4-nitrobenzenediazonium tetrafluoroborate
CID 134935845
1-bromo-2-(difluoromethyl)-4-nitrobenzene
CID 122515601
(2-bromo-5-nitrophenyl)methanamine
CID 59511923
(2-bromo-5-nitrophenoxy)methyl-trifluoroboranuide
CID 103013042
1-bromo-2-(dibromomethyl)-4-nitrobenzene
CID 56647182
2-bromo-5-nitrophenol;ethane
CID 177010307
2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate
CID 82972697
2-cyano-4-nitrobenzenediazonium;hydrogen sulfate
CID 14528947

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitrobenzenediazonium tetrafluoroborate?
The IUPAC name of 2-bromo-5-nitrobenzenediazonium tetrafluoroborate (CID 82973448) is 2-bromo-5-nitrobenzenediazonium tetrafluoroborate.
What is the SMILES notation for 2-bromo-5-nitrobenzenediazonium tetrafluoroborate?
The canonical SMILES for 2-bromo-5-nitrobenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-bromo-5-nitrobenzenediazonium tetrafluoroborate?
The InChIKey is AERYFDNLYGBLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN3O2.BF4/c7-5-2-1-4(10(11)12)3-6(5)9-8;2-1(3,4)5/h1-3H;/q+1;-1.
What are the key properties of 2-bromo-5-nitrobenzenediazonium tetrafluoroborate?
2-bromo-5-nitrobenzenediazonium tetrafluoroborate has a molecular weight of 315.82 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitrobenzenediazonium tetrafluoroborate is sourced from PubChem (CID 82973448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).