1-chloro-2-ethylselanylbenzene

C8H9ClSe — CID 12824664

IUPAC1-chloro-2-ethylselanylbenzene
SMILESCC[Se]c1ccccc1Cl
InChIInChI=1S/C8H9ClSe/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKeyYXCTYSFINJLMSK-UHFFFAOYSA-N
MW219.57 g/mol
LogP2.11
Rot. Bonds2

About 1-chloro-2-ethylselanylbenzene

1-chloro-2-ethylselanylbenzene (PubChem CID 12824664) has the molecular formula C8H9ClSe and a molecular weight of 219.57 g/mol. Its IUPAC name is 1-chloro-2-ethylselanylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethylselanylbenzene
PubChem CID12824664
Molecular FormulaC8H9ClSe
Molecular Weight219.57 g/mol
Exact Mass219.96
IUPAC Name1-chloro-2-ethylselanylbenzene
SMILESCC[Se]c1ccccc1Cl
InChIInChI=1S/C8H9ClSe/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKeyYXCTYSFINJLMSK-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.57
LogP ≤ 52.11
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-ethylselanylbenzene?
The IUPAC name of 1-chloro-2-ethylselanylbenzene (CID 12824664) is 1-chloro-2-ethylselanylbenzene.
What is the SMILES notation for 1-chloro-2-ethylselanylbenzene?
The canonical SMILES for 1-chloro-2-ethylselanylbenzene is CC[Se]c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-ethylselanylbenzene?
The InChIKey is YXCTYSFINJLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClSe/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3.
What are the key properties of 1-chloro-2-ethylselanylbenzene?
1-chloro-2-ethylselanylbenzene has a molecular weight of 219.57 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylselanylbenzene is sourced from PubChem (CID 12824664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).