(4-Iodophenyl) 4-methylbenzenesulfonate
Basic information
- CAS
24962-55-8- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(I)cc2)cc1- InChIKey
DDXDGBOZDFYVGL-UHFFFAOYSA-N- Molecular formula
- C13H11IO3S
- Average molar mass
- 374.2 g/mol
- Monoisotopic mass
- 373.94736
Names & identifiers
- Preferred name
- (4-Iodophenyl) 4-methylbenzenesulfonate
- IUPAC
- (4-iodophenyl) 4-methylbenzenesulfonate
- English name
- 4-Iodophenyl 4-methylphenylsulfonate
- Molecular formula
- C13H11IO3S
- Molecular weight
- 374.19
Names & synonyms
24962-55-8(4-iodophenyl) 4-methylbenzenesulfonateDTXSID60306050RefChem:208842DTXCID602571794-iodophenyl 4-methylbenzene-1-sulfonate4-iodophenyl 4-methylbenzenesulfonatePhenol, 4-iodo-, 1-(4-methylbenzenesulfonate)4-IODOPHENYL 4-METHYLPHENYLSULFONATENSC173913SCHEMBL3100955MFCD01231278
Show more names
P-IODOPHENYL P-TOLYLSULFONATE
AKOS008009457NSC-173913F70261(4-Iodophenyl) 4-methylbenzenesulfonate_x000D_EN300-7118020Z45436808
Database identifiers
- CAS
24962-55-8- PubChem CID
- 299933
- DTXSID
DTXSID60306050- Nikkaji
- J3.223.367H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 99 °C · 99 °C
- Boiling point
- 445.6 · 445.6±45.0 °C(Predicted)
- Density
- 1.689 · 1.689±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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