2-(3-Chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane

HCID 10244473

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 50528-18-2
Standard SMILES: Fc1ccc(C2(CCCCl)OCCO2)c(F)c1
InChIKey: INKXUVDVFWOIBB-UHFFFAOYSA-N
Molecular formula: C12H13ClF2O2
Average molar mass: 262.68 g/mol
Monoisotopic mass: 262.0572137

Names & identifiers

Preferred name: 2-(3-Chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane
IUPAC: 2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane

Names & synonyms

2-(3-chloropropyl)-2-(2,4-difluorophenyl)-1,3-dioxolane50528-18-2SCHEMBL11490417INKXUVDVFWOIBB-UHFFFAOYSA-NDTXSID8012038394-chloro-1-(2,4-difluorophenyl)-1,1-ethylenedioxybutane

Database identifiers

CAS: 50528-18-2
PubChem CID: 10244473
DTXSID: DTXSID801203839

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 247

Related reactions

2 records

New reaction record

HRID 1552908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1576111As reactantuspto-grants-1976_09

Compound notes

Loading…