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2-(2-Bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane

HCID 22735928
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(c2cc(F)ccc2Br)OCCO1
InChIKey
NFSPNSSZAQKABK-UHFFFAOYSA-N
Molecular formula
C10H10BrFO2
Average molar mass
261.09 g/mol
Monoisotopic mass
259.98482

Names & identifiers

Preferred name
2-(2-Bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
IUPAC
2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane

Names & synonyms

SCHEMBL5635402NFSPNSSZAQKABK-UHFFFAOYSA-N2-(2-bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane

Database identifiers

PubChem CID
22735928

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
206

Related reactions

5 records
New reaction record
HRID 51062 reaction equation
HRID 51062As productuspto-grants-2004_03
HRID 51063 reaction equation
HRID 51063As reactantuspto-grants-2004_03
HRID 802657 reaction equation
HRID 802657As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1764934 reaction equation
HRID 1764934As productuspto-grants-2007_06
HRID 1764935 reaction equation
HRID 1764935As reactantuspto-grants-2007_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes