1-bromo-4-(phenylselanylmethyl)benzene

C13H11BrSe — CID 12681929

IUPAC1-bromo-4-(phenylselanylmethyl)benzene
SMILESBrc1ccc(C[Se]c2ccccc2)cc1
InChIInChI=1S/C13H11BrSe/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyXJJFGWKJSDXAHD-UHFFFAOYSA-N
MW326.10 g/mol
LogP2.98
Rot. Bonds3

About 1-bromo-4-(phenylselanylmethyl)benzene

1-bromo-4-(phenylselanylmethyl)benzene (PubChem CID 12681929) has the molecular formula C13H11BrSe and a molecular weight of 326.10 g/mol. Its IUPAC name is 1-bromo-4-(phenylselanylmethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(phenylselanylmethyl)benzene
PubChem CID12681929
Molecular FormulaC13H11BrSe
Molecular Weight326.10 g/mol
Exact Mass325.92
IUPAC Name1-bromo-4-(phenylselanylmethyl)benzene
SMILESBrc1ccc(C[Se]c2ccccc2)cc1
InChIInChI=1S/C13H11BrSe/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyXJJFGWKJSDXAHD-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.10
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-bromophenyl)methylselanyl]aniline
CID 162787602
1-ethyl-4-(phenylselanylmethyl)benzene
CID 140560574
(2-bromocyclohexen-1-yl)selanylmethylbenzene
CID 11131321
bromo(413C)cyclohexatriene
CID 66995401
bromo(113C)cyclohexatriene
CID 11094888
CID 101404869
CID 101404869
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
potassium (3-benzylselanylphenyl)-trifluoroboranuide
CID 46239924
benzyl selenohypobromite
CID 3301548
benzyl-[(4-bromophenyl)methyl]-[2-(dimethylazaniumyl)ethyl]azanium
CID 6962952
CID 159525408
CID 159525408
bromobenzene;hydroiodide
CID 161399395

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(phenylselanylmethyl)benzene?
The IUPAC name of 1-bromo-4-(phenylselanylmethyl)benzene (CID 12681929) is 1-bromo-4-(phenylselanylmethyl)benzene.
What is the SMILES notation for 1-bromo-4-(phenylselanylmethyl)benzene?
The canonical SMILES for 1-bromo-4-(phenylselanylmethyl)benzene is Brc1ccc(C[Se]c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-(phenylselanylmethyl)benzene?
The InChIKey is XJJFGWKJSDXAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrSe/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 1-bromo-4-(phenylselanylmethyl)benzene?
1-bromo-4-(phenylselanylmethyl)benzene has a molecular weight of 326.10 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(phenylselanylmethyl)benzene is sourced from PubChem (CID 12681929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).