bis(2-bromobenzenediazonium);fluoro(dioxido)borane

C12H8BBr2FN4O2 — CID 87874286

IUPACbis(2-bromobenzenediazonium);fluoro(dioxido)borane
SMILESN#[N+]c1ccccc1Br.N#[N+]c1ccccc1Br.[O-]B([O-])F
InChIInChI=1S/2C6H4BrN2.BFO2/c2*7-5-3-1-2-4-6(5)9-8;2-1(3)4/h2*1-4H;/q2*+1;-2
InChIKeyTXZGBDJAEYUARW-UHFFFAOYSA-N
MW429.84 g/mol
LogP3.53
Rot. Bonds

About bis(2-bromobenzenediazonium);fluoro(dioxido)borane

bis(2-bromobenzenediazonium);fluoro(dioxido)borane (PubChem CID 87874286) has the molecular formula C12H8BBr2FN4O2 and a molecular weight of 429.84 g/mol. Its IUPAC name is bis(2-bromobenzenediazonium);fluoro(dioxido)borane.

Molecular Properties

Compound Namebis(2-bromobenzenediazonium);fluoro(dioxido)borane
PubChem CID87874286
Molecular FormulaC12H8BBr2FN4O2
Molecular Weight429.84 g/mol
Exact Mass427.91
IUPAC Namebis(2-bromobenzenediazonium);fluoro(dioxido)borane
SMILESN#[N+]c1ccccc1Br.N#[N+]c1ccccc1Br.[O-]B([O-])F
InChIInChI=1S/2C6H4BrN2.BFO2/c2*7-5-3-1-2-4-6(5)9-8;2-1(3)4/h2*1-4H;/q2*+1;-2
InChIKeyTXZGBDJAEYUARW-UHFFFAOYSA-N
XLogP3.53
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.84
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-bromobenzenediazonium);fluoro(dioxido)borane?
The IUPAC name of bis(2-bromobenzenediazonium);fluoro(dioxido)borane (CID 87874286) is bis(2-bromobenzenediazonium);fluoro(dioxido)borane.
What is the SMILES notation for bis(2-bromobenzenediazonium);fluoro(dioxido)borane?
The canonical SMILES for bis(2-bromobenzenediazonium);fluoro(dioxido)borane is N#[N+]c1ccccc1Br.N#[N+]c1ccccc1Br.[O-]B([O-])F.
What is the InChIKey of bis(2-bromobenzenediazonium);fluoro(dioxido)borane?
The InChIKey is TXZGBDJAEYUARW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4BrN2.BFO2/c2*7-5-3-1-2-4-6(5)9-8;2-1(3)4/h2*1-4H;/q2*+1;-2.
What are the key properties of bis(2-bromobenzenediazonium);fluoro(dioxido)borane?
bis(2-bromobenzenediazonium);fluoro(dioxido)borane has a molecular weight of 429.84 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromobenzenediazonium);fluoro(dioxido)borane is sourced from PubChem (CID 87874286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).