1-nitro-3-(phenylselanylmethyl)benzene

C13H11NO2Se — CID 71443025

IUPAC1-nitro-3-(phenylselanylmethyl)benzene
SMILESO=[N+]([O-])c1cccc(C[Se]c2ccccc2)c1
InChIInChI=1S/C13H11NO2Se/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyYTSNKVPFLYDRSR-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.12
Rot. Bonds4

About 1-nitro-3-(phenylselanylmethyl)benzene

1-nitro-3-(phenylselanylmethyl)benzene (PubChem CID 71443025) has the molecular formula C13H11NO2Se and a molecular weight of 292.20 g/mol. Its IUPAC name is 1-nitro-3-(phenylselanylmethyl)benzene.

Molecular Properties

Compound Name1-nitro-3-(phenylselanylmethyl)benzene
PubChem CID71443025
Molecular FormulaC13H11NO2Se
Molecular Weight292.20 g/mol
Exact Mass293.00
IUPAC Name1-nitro-3-(phenylselanylmethyl)benzene
SMILESO=[N+]([O-])c1cccc(C[Se]c2ccccc2)c1
InChIInChI=1S/C13H11NO2Se/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyYTSNKVPFLYDRSR-UHFFFAOYSA-N
XLogP2.12
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.12
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

1,3-dinitrobenzene;2-phenylethylbenzene
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(3-nitrophenyl)methyl-triphenylphosphanium;hydrobromide
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azanium nitrobenzene
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1-(2-iodoethyl)-3-nitrobenzene
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sodium 2-(3-nitrophenyl)acetate
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1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
CID 56955352
1-nitro-3-(2-phenoxyethyl)benzene
CID 54538108
(3-nitrophenyl) selenohypobromite
CID 134881670
CID 157363920
CID 157363920
1-(2,2-dimethylpropyl)-3-nitrobenzene
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Frequently Asked Questions

What is the IUPAC name of 1-nitro-3-(phenylselanylmethyl)benzene?
The IUPAC name of 1-nitro-3-(phenylselanylmethyl)benzene (CID 71443025) is 1-nitro-3-(phenylselanylmethyl)benzene.
What is the SMILES notation for 1-nitro-3-(phenylselanylmethyl)benzene?
The canonical SMILES for 1-nitro-3-(phenylselanylmethyl)benzene is O=[N+]([O-])c1cccc(C[Se]c2ccccc2)c1.
What is the InChIKey of 1-nitro-3-(phenylselanylmethyl)benzene?
The InChIKey is YTSNKVPFLYDRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2Se/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2.
What are the key properties of 1-nitro-3-(phenylselanylmethyl)benzene?
1-nitro-3-(phenylselanylmethyl)benzene has a molecular weight of 292.20 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-3-(phenylselanylmethyl)benzene is sourced from PubChem (CID 71443025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).