(3-nitrophenyl) selenohypobromite

C6H4BrNO2Se — CID 134881670

IUPAC(3-nitrophenyl) selenohypobromite
SMILESO=[N+]([O-])c1cccc([Se]Br)c1
InChIInChI=1S/C6H4BrNO2Se/c7-11-6-3-1-2-5(4-6)8(9)10/h1-4H
InChIKeyFZMJOUQXAQKOBD-UHFFFAOYSA-N
MW280.97 g/mol
LogP1.23
Rot. Bonds2

About (3-nitrophenyl) selenohypobromite

(3-nitrophenyl) selenohypobromite (PubChem CID 134881670) has the molecular formula C6H4BrNO2Se and a molecular weight of 280.97 g/mol. Its IUPAC name is (3-nitrophenyl) selenohypobromite.

Molecular Properties

Compound Name(3-nitrophenyl) selenohypobromite
PubChem CID134881670
Molecular FormulaC6H4BrNO2Se
Molecular Weight280.97 g/mol
Exact Mass280.86
IUPAC Name(3-nitrophenyl) selenohypobromite
SMILESO=[N+]([O-])c1cccc([Se]Br)c1
InChIInChI=1S/C6H4BrNO2Se/c7-11-6-3-1-2-5(4-6)8(9)10/h1-4H
InChIKeyFZMJOUQXAQKOBD-UHFFFAOYSA-N
XLogP1.23
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.97
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-nitrobenzene;zinc
CID 159421870
1-nitro-3-(phenylselanylmethyl)benzene
CID 71443025
(3-nitrophenyl)phosphane
CID 101369545
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
CID 174796132
CID 174796132
1-methyl-3-nitrobenzene
CID 7422
1-fluoro-3-nitrobenzene;sulfur trioxide
CID 167661335
azanium nitrobenzene
CID 22989049
1-methyl-3-nitrobenzene chloride
CID 20509973
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
bis(3-nitrophenyl)diazene
CID 10858607
azane;1-methyl-3-nitrobenzene
CID 174504430

Frequently Asked Questions

What is the IUPAC name of (3-nitrophenyl) selenohypobromite?
The IUPAC name of (3-nitrophenyl) selenohypobromite (CID 134881670) is (3-nitrophenyl) selenohypobromite.
What is the SMILES notation for (3-nitrophenyl) selenohypobromite?
The canonical SMILES for (3-nitrophenyl) selenohypobromite is O=[N+]([O-])c1cccc([Se]Br)c1.
What is the InChIKey of (3-nitrophenyl) selenohypobromite?
The InChIKey is FZMJOUQXAQKOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO2Se/c7-11-6-3-1-2-5(4-6)8(9)10/h1-4H.
What are the key properties of (3-nitrophenyl) selenohypobromite?
(3-nitrophenyl) selenohypobromite has a molecular weight of 280.97 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitrophenyl) selenohypobromite is sourced from PubChem (CID 134881670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).