1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene

C12H8Cl2OSe2 — CID 175200234

IUPAC1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene
SMILESClc1ccc([Se]O[Se]c2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2OSe2/c13-9-1-5-11(6-2-9)16-15-17-12-7-3-10(14)4-8-12/h1-8H
InChIKeyXBUPZDPDYDHRMZ-UHFFFAOYSA-N
MW397.02 g/mol
LogP2.20
Rot. Bonds4

About 1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene

1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene (PubChem CID 175200234) has the molecular formula C12H8Cl2OSe2 and a molecular weight of 397.02 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene
PubChem CID175200234
Molecular FormulaC12H8Cl2OSe2
Molecular Weight397.02 g/mol
Exact Mass397.83
IUPAC Name1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene
SMILESClc1ccc([Se]O[Se]c2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H8Cl2OSe2/c13-9-1-5-11(6-2-9)16-15-17-12-7-3-10(14)4-8-12/h1-8H
InChIKeyXBUPZDPDYDHRMZ-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.02
LogP ≤ 52.20
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-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene?
The IUPAC name of 1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene (CID 175200234) is 1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene.
What is the SMILES notation for 1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene?
The canonical SMILES for 1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene is Clc1ccc([Se]O[Se]c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene?
The InChIKey is XBUPZDPDYDHRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2OSe2/c13-9-1-5-11(6-2-9)16-15-17-12-7-3-10(14)4-8-12/h1-8H.
What are the key properties of 1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene?
1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene has a molecular weight of 397.02 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene is sourced from PubChem (CID 175200234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).