2-(2-Bromoethyl)-2-phenyl-1,3-dioxolane

HCID 13764129

Notes Reactions

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Basic information

CAS: 58521-76-9
Standard SMILES: BrCCC1(c2ccccc2)OCCO1
InChIKey: ZMAUGEHTQDGMRO-UHFFFAOYSA-N
Molecular formula: C11H13BrO2
Average molar mass: 257.12 g/mol
Monoisotopic mass: 256.00989

Names & identifiers

Preferred name: 2-(2-Bromoethyl)-2-phenyl-1,3-dioxolane
IUPAC: 2-(2-bromoethyl)-2-phenyl-1,3-dioxolane

Names & synonyms

2-(2-Bromoethyl)-2-phenyl-1,3-dioxolane58521-76-9DTXSID60548791RefChem:250465DTXCID40499575SCHEMBL7390254ZMAUGEHTQDGMRO-UHFFFAOYSA-N2-bromoethyl-2-phenyl 1,3-dioxolane3,3-ethylenedioxy-3-phenylpropyl bromide

Database identifiers

CAS: 58521-76-9
PubChem CID: 13764129
DTXSID: DTXSID60548791

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 172

Related reactions

4 records

New reaction record

HRID 344282As productuspto-grants-1999_01

HRID 344543As reactantuspto-grants-1999_01

HRID 1144819As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1215706As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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