1-chloro-4-(diselanyl)benzene

C6H5ClSe2 — CID 175027217

IUPAC1-chloro-4-(diselanyl)benzene
SMILESClc1ccc([Se][SeH])cc1
InChIInChI=1S/C6H5ClSe2/c7-5-1-3-6(9-8)4-2-5/h1-4,8H
InChIKeyIFTNCTFFOKKIBC-UHFFFAOYSA-N
MW270.48 g/mol
LogP0.49
Rot. Bonds1

About 1-chloro-4-(diselanyl)benzene

1-chloro-4-(diselanyl)benzene (PubChem CID 175027217) has the molecular formula C6H5ClSe2 and a molecular weight of 270.48 g/mol. Its IUPAC name is 1-chloro-4-(diselanyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(diselanyl)benzene
PubChem CID175027217
Molecular FormulaC6H5ClSe2
Molecular Weight270.48 g/mol
Exact Mass271.84
IUPAC Name1-chloro-4-(diselanyl)benzene
SMILESClc1ccc([Se][SeH])cc1
InChIInChI=1S/C6H5ClSe2/c7-5-1-3-6(9-8)4-2-5/h1-4,8H
InChIKeyIFTNCTFFOKKIBC-UHFFFAOYSA-N
XLogP0.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.48
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(4-chlorophenyl)selanyloxyselanylbenzene
CID 175200234
azane;1,4-dichlorobenzene
CID 69330361
1,4-dichlorobenzene;trichloroalumane
CID 174756083
1,4-dichlorobenzene;formonitrile
CID 174444870
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
3-(4-chlorophenyl)selanylprop-2-enal
CID 71403897
1-(4-chlorophenyl)selanylethenyl-trimethylsilane
CID 102180187
1-chloro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylselanyl)benzene
CID 11553307
1-bromo-4-chlorobenzene
CID 7806
1,4-dichlorobenzene;formyl chloride
CID 174264230
tris(4-chlorophenyl)phosphanium
CID 23413716
tetrakis(4-chlorophenyl)stannane
CID 4307055

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(diselanyl)benzene?
The IUPAC name of 1-chloro-4-(diselanyl)benzene (CID 175027217) is 1-chloro-4-(diselanyl)benzene.
What is the SMILES notation for 1-chloro-4-(diselanyl)benzene?
The canonical SMILES for 1-chloro-4-(diselanyl)benzene is Clc1ccc([Se][SeH])cc1.
What is the InChIKey of 1-chloro-4-(diselanyl)benzene?
The InChIKey is IFTNCTFFOKKIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClSe2/c7-5-1-3-6(9-8)4-2-5/h1-4,8H.
What are the key properties of 1-chloro-4-(diselanyl)benzene?
1-chloro-4-(diselanyl)benzene has a molecular weight of 270.48 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(diselanyl)benzene is sourced from PubChem (CID 175027217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).