N-Succinimidyl 3-iodobenzoate
Basic information
- CAS
91487-18-2- Standard SMILES
O=C(ON1C(=O)CCC1=O)c1cccc(I)c1- InChIKey
RIOSXWBFXSDUDE-UHFFFAOYSA-N- Molecular formula
- C11H8INO4
- Average molar mass
- 345.09 g/mol
- Monoisotopic mass
- 344.94981
Names & identifiers
- Preferred name
- N-Succinimidyl 3-iodobenzoate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 3-iodobenzoate
- English name
- N-succinimidyl 3-iodobenzoate
- Molecular formula
- C11H8INO4
- Molecular weight
- 345.09
Names & synonyms
91487-18-2N-Succinimidyl 3-iodobenzoateNS-m-IBRefChem:1642022,5-dioxopyrrolidin-1-yl 3-iodobenzoateSuccinimidyl 3-Iodobenzoate2,5-Pyrrolidinedione, 1-((3-iodobenzoyl)oxy)-(2,5-dioxopyrrolidin-1-yl) 3-iodobenzoateMFCD279641773-iodo-benzoic acid 2,5-dioxo-pyrrolidin-1-yl ester1-[(3-Iodobenzoyl)oxy]-2,5-pyrrolidinedione2,5-Pyrrolidinedione, 1-[(3-iodobenzoyl)oxy]-
Show more names
SCHEMBL317765Benzoic acid, 3-iodo-, 2,5-dioxo-1-pyrrolidinyl esterDTXSID70919695RIOSXWBFXSDUDE-UHFFFAOYSA-NFS180899SY5307111-[(3-Iodobenzoyl)oxy]pyrrolidine-2,5-dioneE86087
Database identifiers
- CAS
91487-18-2- PubChem CID
- 124646
- DTXSID
DTXSID70919695- Nikkaji
- J2.357.083A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 426.5 · 426.5±47.0 °C(Predicted)
- Density
- 1.94 · 1.94±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture and light
- Appearance
- White to light yellow Solid
Chemistry & industry
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