1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene

C14H10Cl4Se — CID 87592508

IUPAC1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene
SMILESClC(Cl)c1ccccc1[Se]c1ccccc1C(Cl)Cl
InChIInChI=1S/C14H10Cl4Se/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8,13-14H
InChIKeyNZCXCGZCWMBWNR-UHFFFAOYSA-N
MW399.01 g/mol
LogP4.29
Rot. Bonds4

About 1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene

1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene (PubChem CID 87592508) has the molecular formula C14H10Cl4Se and a molecular weight of 399.01 g/mol. Its IUPAC name is 1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene.

Molecular Properties

Compound Name1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene
PubChem CID87592508
Molecular FormulaC14H10Cl4Se
Molecular Weight399.01 g/mol
Exact Mass397.87
IUPAC Name1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene
SMILESClC(Cl)c1ccccc1[Se]c1ccccc1C(Cl)Cl
InChIInChI=1S/C14H10Cl4Se/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8,13-14H
InChIKeyNZCXCGZCWMBWNR-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.01
LogP ≤ 54.29
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-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene?
The IUPAC name of 1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene (CID 87592508) is 1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene.
What is the SMILES notation for 1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene?
The canonical SMILES for 1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene is ClC(Cl)c1ccccc1[Se]c1ccccc1C(Cl)Cl.
What is the InChIKey of 1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene?
The InChIKey is NZCXCGZCWMBWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4Se/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8,13-14H.
What are the key properties of 1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene?
1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene has a molecular weight of 399.01 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-2-[2-(dichloromethyl)phenyl]selanylbenzene is sourced from PubChem (CID 87592508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).