1,4-dichloro-2-selenonitrosobenzene

C6H3Cl2NSe — CID 175808541

IUPAC1,4-dichloro-2-selenonitrosobenzene
SMILESClc1ccc(Cl)c(N=[Se])c1
InChIInChI=1S/C6H3Cl2NSe/c7-4-1-2-5(8)6(3-4)9-10/h1-3H
InChIKeyWUAMNVGDLBQQJA-UHFFFAOYSA-N
MW238.96 g/mol
LogP2.98
Rot. Bonds1

About 1,4-dichloro-2-selenonitrosobenzene

1,4-dichloro-2-selenonitrosobenzene (PubChem CID 175808541) has the molecular formula C6H3Cl2NSe and a molecular weight of 238.96 g/mol. Its IUPAC name is 1,4-dichloro-2-selenonitrosobenzene.

Molecular Properties

Compound Name1,4-dichloro-2-selenonitrosobenzene
PubChem CID175808541
Molecular FormulaC6H3Cl2NSe
Molecular Weight238.96 g/mol
Exact Mass238.88
IUPAC Name1,4-dichloro-2-selenonitrosobenzene
SMILESClc1ccc(Cl)c(N=[Se])c1
InChIInChI=1S/C6H3Cl2NSe/c7-4-1-2-5(8)6(3-4)9-10/h1-3H
InChIKeyWUAMNVGDLBQQJA-UHFFFAOYSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.96
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-selenonitrosobenzene?
The IUPAC name of 1,4-dichloro-2-selenonitrosobenzene (CID 175808541) is 1,4-dichloro-2-selenonitrosobenzene.
What is the SMILES notation for 1,4-dichloro-2-selenonitrosobenzene?
The canonical SMILES for 1,4-dichloro-2-selenonitrosobenzene is Clc1ccc(Cl)c(N=[Se])c1.
What is the InChIKey of 1,4-dichloro-2-selenonitrosobenzene?
The InChIKey is WUAMNVGDLBQQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NSe/c7-4-1-2-5(8)6(3-4)9-10/h1-3H.
What are the key properties of 1,4-dichloro-2-selenonitrosobenzene?
1,4-dichloro-2-selenonitrosobenzene has a molecular weight of 238.96 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-selenonitrosobenzene is sourced from PubChem (CID 175808541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).