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CID 4351690 (HCID 4351690)|Huagongshe
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Compound
CID 4351690
HCID
4351690
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=S(=O)([O-])c1ccccc1I
InChIKey
ZJTNYBYLBTVLRD-UHFFFAOYSA-M
Molecular formula
C6H4IO3S-
Average molar mass
283.07 g/mol
Names & identifiers
Preferred name
CID 4351690
IUPAC
2-iodobenzenesulfonate
Database identifiers
PubChem CID
4351690
Properties
Computed structural properties
XLogP
1.2
Topological polar surface area
65.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Formal charge
-1
Complexity
205
Show all 8
Show all 8 / 8
Related reactions
9 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
113275
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
293189
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
307260
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
816249
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
817464
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
948049
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1536572
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
2122910
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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