1-chloro-2-phenylselanylbenzene

C12H9ClSe — CID 11054651

IUPAC1-chloro-2-phenylselanylbenzene
SMILESClc1ccccc1[Se]c1ccccc1
InChIInChI=1S/C12H9ClSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
InChIKeyWRGVGUAHWDWVLH-UHFFFAOYSA-N
MW267.62 g/mol
LogP2.00
Rot. Bonds2

About 1-chloro-2-phenylselanylbenzene

1-chloro-2-phenylselanylbenzene (PubChem CID 11054651) has the molecular formula C12H9ClSe and a molecular weight of 267.62 g/mol. Its IUPAC name is 1-chloro-2-phenylselanylbenzene.

Molecular Properties

Compound Name1-chloro-2-phenylselanylbenzene
PubChem CID11054651
Molecular FormulaC12H9ClSe
Molecular Weight267.62 g/mol
Exact Mass267.96
IUPAC Name1-chloro-2-phenylselanylbenzene
SMILESClc1ccccc1[Se]c1ccccc1
InChIInChI=1S/C12H9ClSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
InChIKeyWRGVGUAHWDWVLH-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.62
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-2-phenylselanylbenzene?
The IUPAC name of 1-chloro-2-phenylselanylbenzene (CID 11054651) is 1-chloro-2-phenylselanylbenzene.
What is the SMILES notation for 1-chloro-2-phenylselanylbenzene?
The canonical SMILES for 1-chloro-2-phenylselanylbenzene is Clc1ccccc1[Se]c1ccccc1.
What is the InChIKey of 1-chloro-2-phenylselanylbenzene?
The InChIKey is WRGVGUAHWDWVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-chloro-2-phenylselanylbenzene?
1-chloro-2-phenylselanylbenzene has a molecular weight of 267.62 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-phenylselanylbenzene is sourced from PubChem (CID 11054651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).