bromo(diphenyl)borane

C12H10BBr — CID 5325047

IUPACbromo(diphenyl)borane
SMILESBrB(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10BBr/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyXADXBBARFYCIQU-UHFFFAOYSA-N
MW244.93 g/mol
LogP2.19
Rot. Bonds2

About bromo(diphenyl)borane

bromo(diphenyl)borane (PubChem CID 5325047) has the molecular formula C12H10BBr and a molecular weight of 244.93 g/mol. Its IUPAC name is bromo(diphenyl)borane.

Molecular Properties

Compound Namebromo(diphenyl)borane
PubChem CID5325047
Molecular FormulaC12H10BBr
Molecular Weight244.93 g/mol
Exact Mass244.01
IUPAC Namebromo(diphenyl)borane
SMILESBrB(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10BBr/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyXADXBBARFYCIQU-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.93
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo(diphenyl)borane?
The IUPAC name of bromo(diphenyl)borane (CID 5325047) is bromo(diphenyl)borane.
What is the SMILES notation for bromo(diphenyl)borane?
The canonical SMILES for bromo(diphenyl)borane is BrB(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo(diphenyl)borane?
The InChIKey is XADXBBARFYCIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BBr/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of bromo(diphenyl)borane?
bromo(diphenyl)borane has a molecular weight of 244.93 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(diphenyl)borane is sourced from PubChem (CID 5325047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).