2-(4-bromo-3-chlorophenyl)-1,3-dioxolane

C9H8BrClO2 — CID 91619451

IUPAC2-(4-bromo-3-chlorophenyl)-1,3-dioxolane
SMILESClc1cc(C2OCCO2)ccc1Br
InChIInChI=1S/C9H8BrClO2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeySDRIAFMSTIFISP-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.15
Rot. Bonds1

About 2-(4-bromo-3-chlorophenyl)-1,3-dioxolane

2-(4-bromo-3-chlorophenyl)-1,3-dioxolane (PubChem CID 91619451) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-1,3-dioxolane
PubChem CID91619451
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name2-(4-bromo-3-chlorophenyl)-1,3-dioxolane
SMILESClc1cc(C2OCCO2)ccc1Br
InChIInChI=1S/C9H8BrClO2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeySDRIAFMSTIFISP-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-1,3-dioxolane (CID 91619451) is 2-(4-bromo-3-chlorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-1,3-dioxolane is Clc1cc(C2OCCO2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-1,3-dioxolane?
The InChIKey is SDRIAFMSTIFISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2.
What are the key properties of 2-(4-bromo-3-chlorophenyl)-1,3-dioxolane?
2-(4-bromo-3-chlorophenyl)-1,3-dioxolane has a molecular weight of 263.52 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)-1,3-dioxolane is sourced from PubChem (CID 91619451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).