bromoseleninylbenzene

C6H5BrOSe — CID 13071060

IUPACbromoseleninylbenzene
SMILESO=[Se](Br)c1ccccc1
InChIInChI=1S/C6H5BrOSe/c7-9(8)6-4-2-1-3-5-6/h1-5H
InChIKeyMILKUWSCMTXIBS-UHFFFAOYSA-N
MW251.97 g/mol
LogP1.21
Rot. Bonds1

About bromoseleninylbenzene

bromoseleninylbenzene (PubChem CID 13071060) has the molecular formula C6H5BrOSe and a molecular weight of 251.97 g/mol. Its IUPAC name is bromoseleninylbenzene.

Molecular Properties

Compound Namebromoseleninylbenzene
PubChem CID13071060
Molecular FormulaC6H5BrOSe
Molecular Weight251.97 g/mol
Exact Mass251.87
IUPAC Namebromoseleninylbenzene
SMILESO=[Se](Br)c1ccccc1
InChIInChI=1S/C6H5BrOSe/c7-9(8)6-4-2-1-3-5-6/h1-5H
InChIKeyMILKUWSCMTXIBS-UHFFFAOYSA-N
XLogP1.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.97
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenylselanyl benzeneseleninate
CID 131859486
phenylseleninyl benzeneselenonate
CID 141046145
CID 45052166
CID 45052166
bromobenzene;formaldehyde
CID 175054829
bromo(413C)cyclohexatriene
CID 66995401
CID 101147236
CID 101147236
bromo(113C)cyclohexatriene
CID 11094888
bis(triphenylstannyl) selenite
CID 71356680
CID 159525408
CID 159525408
bromobenzene;trihydrofluoride
CID 173004651
cobalt;fluorobenzene
CID 139244086
bromobenzene;hydroiodide
CID 161399395

Frequently Asked Questions

What is the IUPAC name of bromoseleninylbenzene?
The IUPAC name of bromoseleninylbenzene (CID 13071060) is bromoseleninylbenzene.
What is the SMILES notation for bromoseleninylbenzene?
The canonical SMILES for bromoseleninylbenzene is O=[Se](Br)c1ccccc1.
What is the InChIKey of bromoseleninylbenzene?
The InChIKey is MILKUWSCMTXIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrOSe/c7-9(8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of bromoseleninylbenzene?
bromoseleninylbenzene has a molecular weight of 251.97 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromoseleninylbenzene is sourced from PubChem (CID 13071060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).