bromo-methyl-phenylborane

C7H8BBr — CID 67944341

IUPACbromo-methyl-phenylborane
SMILESCB(Br)c1ccccc1
InChIInChI=1S/C7H8BBr/c1-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyXEQXFPUZKNVZLC-UHFFFAOYSA-N
MW182.86 g/mol
LogP1.91
Rot. Bonds1

About bromo-methyl-phenylborane

bromo-methyl-phenylborane (PubChem CID 67944341) has the molecular formula C7H8BBr and a molecular weight of 182.86 g/mol. Its IUPAC name is bromo-methyl-phenylborane.

Molecular Properties

Compound Namebromo-methyl-phenylborane
PubChem CID67944341
Molecular FormulaC7H8BBr
Molecular Weight182.86 g/mol
Exact Mass181.99
IUPAC Namebromo-methyl-phenylborane
SMILESCB(Br)c1ccccc1
InChIInChI=1S/C7H8BBr/c1-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyXEQXFPUZKNVZLC-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.86
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromo-methyl-phenylborane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[methyl(phenyl)boranyl]methanamine
CID 583483
N-diphenylboranylmethanamine
CID 4233319
ethane;phenylboronic acid
CID 54560949
sodium triphenylborane
CID 14535009
(4-methylphenyl)-phenylborinic acid
CID 143940886
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
benzene;1,2-xylene
CID 161464493
titanium(2+);toluene
CID 22023820
bromomethane;ethane;toluene
CID 162174228
2,10-dimethylazecine
CID 126659012
(3-methylphenyl)-diphenylborane
CID 145125944

Frequently Asked Questions

What is the IUPAC name of bromo-methyl-phenylborane?
The IUPAC name of bromo-methyl-phenylborane (CID 67944341) is bromo-methyl-phenylborane.
What is the SMILES notation for bromo-methyl-phenylborane?
The canonical SMILES for bromo-methyl-phenylborane is CB(Br)c1ccccc1.
What is the InChIKey of bromo-methyl-phenylborane?
The InChIKey is XEQXFPUZKNVZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BBr/c1-8(9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of bromo-methyl-phenylborane?
bromo-methyl-phenylborane has a molecular weight of 182.86 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-methyl-phenylborane is sourced from PubChem (CID 67944341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).