1-hydroxyselanyl-2-nitrobenzene

C6H5NO3Se — CID 15565401

IUPAC1-hydroxyselanyl-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1[Se]O
InChIInChI=1S/C6H5NO3Se/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,10H
InChIKeyCWBKCWIBJOLVDY-UHFFFAOYSA-N
MW218.07 g/mol
LogP-0.17
Rot. Bonds2

About 1-hydroxyselanyl-2-nitrobenzene

1-hydroxyselanyl-2-nitrobenzene (PubChem CID 15565401) has the molecular formula C6H5NO3Se and a molecular weight of 218.07 g/mol. Its IUPAC name is 1-hydroxyselanyl-2-nitrobenzene.

Molecular Properties

Compound Name1-hydroxyselanyl-2-nitrobenzene
PubChem CID15565401
Molecular FormulaC6H5NO3Se
Molecular Weight218.07 g/mol
Exact Mass218.94
IUPAC Name1-hydroxyselanyl-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1[Se]O
InChIInChI=1S/C6H5NO3Se/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,10H
InChIKeyCWBKCWIBJOLVDY-UHFFFAOYSA-N
XLogP-0.17
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2-nitrophenyl) selenohypochlorite
CID 71359588
N-methyl-N-(2-nitrophenyl)selanylmethanamine
CID 14947914
(2-nitrophenyl)selanyl cyanate
CID 11379526
azanide;1,2-dinitrobenzene;platinum
CID 158959684
1-bromo-2-nitrobenzene
CID 158366116
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
1-benzylsulfanylselanyl-2-nitrobenzene
CID 101025159
1-bromo-2-nitrobenzene;propan-2-one
CID 46911798
1-nitro-2-(2-nitropropan-2-yl)benzene
CID 87409221
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
1-bromo-2-nitrobenzene;ethane
CID 91072043

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyselanyl-2-nitrobenzene?
The IUPAC name of 1-hydroxyselanyl-2-nitrobenzene (CID 15565401) is 1-hydroxyselanyl-2-nitrobenzene.
What is the SMILES notation for 1-hydroxyselanyl-2-nitrobenzene?
The canonical SMILES for 1-hydroxyselanyl-2-nitrobenzene is O=[N+]([O-])c1ccccc1[Se]O.
What is the InChIKey of 1-hydroxyselanyl-2-nitrobenzene?
The InChIKey is CWBKCWIBJOLVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3Se/c8-7(9)5-3-1-2-4-6(5)11-10/h1-4,10H.
What are the key properties of 1-hydroxyselanyl-2-nitrobenzene?
1-hydroxyselanyl-2-nitrobenzene has a molecular weight of 218.07 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyselanyl-2-nitrobenzene is sourced from PubChem (CID 15565401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).