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2-(2-Fluoro-3-iodo-4-methoxy-phenyl)-[1,3] dioxolane

HCID 21966434
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1ccc(C2OCCO2)c(F)c1I
InChIKey
AHPNFDUORGLKLN-UHFFFAOYSA-N
Molecular formula
C10H10FIO3
Average molar mass
324.09 g/mol

Names & identifiers

Preferred name
2-(2-Fluoro-3-iodo-4-methoxy-phenyl)-[1,3] dioxolane
IUPAC
2-(2-fluoro-3-iodo-4-methoxyphenyl)-1,3-dioxolane

Names & synonyms

SCHEMBL5758711AHPNFDUORGLKLN-UHFFFAOYSA-N2-(2-fluoro-3-iodo-4-methoxy-phenyl)-[1,3] dioxolane2-(2-fluoro-3-iodo-4-methoxy-phenyl)-[1,3]dioxolane

Database identifiers

PubChem CID
21966434

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
211

Related reactions

3 records
New reaction record
HRID 1230163 reaction equation
HRID 1230163As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2212589 reaction equation
HRID 2212589As productuspto-grants-2006_09
HRID 2212590 reaction equation
HRID 2212590As reactantuspto-grants-2006_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes