1-(chloromethylselanyl)-2-methylbenzene

C8H9ClSe — CID 53308997

IUPAC1-(chloromethylselanyl)-2-methylbenzene
SMILESCc1ccccc1[Se]CCl
InChIInChI=1S/C8H9ClSe/c1-7-4-2-3-5-8(7)10-6-9/h2-5H,6H2,1H3
InChIKeyYRYDWHHOJXUUCH-UHFFFAOYSA-N
MW219.57 g/mol
LogP1.52
Rot. Bonds2

About 1-(chloromethylselanyl)-2-methylbenzene

1-(chloromethylselanyl)-2-methylbenzene (PubChem CID 53308997) has the molecular formula C8H9ClSe and a molecular weight of 219.57 g/mol. Its IUPAC name is 1-(chloromethylselanyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(chloromethylselanyl)-2-methylbenzene
PubChem CID53308997
Molecular FormulaC8H9ClSe
Molecular Weight219.57 g/mol
Exact Mass219.96
IUPAC Name1-(chloromethylselanyl)-2-methylbenzene
SMILESCc1ccccc1[Se]CCl
InChIInChI=1S/C8H9ClSe/c1-7-4-2-3-5-8(7)10-6-9/h2-5H,6H2,1H3
InChIKeyYRYDWHHOJXUUCH-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethylselanyl)-2-methylbenzene?
The IUPAC name of 1-(chloromethylselanyl)-2-methylbenzene (CID 53308997) is 1-(chloromethylselanyl)-2-methylbenzene.
What is the SMILES notation for 1-(chloromethylselanyl)-2-methylbenzene?
The canonical SMILES for 1-(chloromethylselanyl)-2-methylbenzene is Cc1ccccc1[Se]CCl.
What is the InChIKey of 1-(chloromethylselanyl)-2-methylbenzene?
The InChIKey is YRYDWHHOJXUUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClSe/c1-7-4-2-3-5-8(7)10-6-9/h2-5H,6H2,1H3.
What are the key properties of 1-(chloromethylselanyl)-2-methylbenzene?
1-(chloromethylselanyl)-2-methylbenzene has a molecular weight of 219.57 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethylselanyl)-2-methylbenzene is sourced from PubChem (CID 53308997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).