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2-[2-(2-Iodooxy-2-oxoethyl)phenyl]acetate

HCID 77068308
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C([O-])Cc1ccccc1CC(=O)OI
InChIKey
CRIURVDGFRTCMT-UHFFFAOYSA-M
Molecular formula
C10H8IO4-
Average molar mass
319.07 g/mol

Names & identifiers

Preferred name
2-[2-(2-Iodooxy-2-oxoethyl)phenyl]acetate
IUPAC
2-[2-(2-iodooxy-2-oxoethyl)phenyl]acetate

Names & synonyms

DB-007583

Database identifiers

PubChem CID
77068308

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
66.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Formal charge
-1
Complexity
236

Related reactions

6 records
New reaction record
HRID 111041 reaction equation
HRID 111041As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 155016 reaction equation
HRID 155016As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 194324 reaction equation
HRID 194324As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 289744 reaction equation
HRID 289744As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 947518 reaction equation
HRID 947518As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1545910 reaction equation
HRID 1545910As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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