7-Iodoacetamidocoumarin-4-carboxylic acid
Basic information
- CAS
284679-24-9- Standard SMILES
O=C(CI)Nc1ccc2c(C(=O)O)cc(=O)oc2c1- InChIKey
OCVOJISWTFRDSP-UHFFFAOYSA-N- Molecular formula
- C12H8INO5
- Average molar mass
- 373.1 g/mol
- Monoisotopic mass
- 372.94472
Names & identifiers
- Preferred name
- 7-Iodoacetamidocoumarin-4-carboxylic acid
- IUPAC
- 7-[(2-iodoacetyl)amino]-2-oxochromene-4-carboxylic acid
- English name
- 7-Iodoacetamidocoumarin-4-carboxylic acid
- Molecular formula
- C12H8INO5
- Molecular weight
- 373.1
Names & synonyms
7-IODOACETAMIDOCOUMARIN-4-CARBOXYLIC ACID284679-24-97-[(2-iodoacetyl)amino]-2-oxochromene-4-carboxylic acid7-(2-Iodoacetamido)-2-oxo-2H-chromene-4-carboxylic acidSCHEMBL38657403DTXSID70399216DB-2641127-(2-Iodoacetamido)-2-oxo-2H-1-benzopyran-4-carboxylic acidI-CCA7-[(Iodoacetyl)aMino]-2-oxo-2H-1-benzopyran-4-carboxylic Acid2H-1-Benzopyran-4-carboxylic acid, 7-[(2-iodoacetyl)amino]-2-oxo-
Database identifiers
- CAS
284679-24-9- PubChem CID
- 4091940
- DTXSID
DTXSID70399216
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Melting point
- 233 °C · >233°C (dec.)
- Boiling point
- 561.5 · 561.5±50.0 °C(Predicted)
- Density
- 2.081 · 2.081±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.3 · 2.30±0.20(Predicted)
- color
- Pale Yellow to Light Yellow
Chemistry & industry
Applications
UsesA water-soluble thio-reactive fluorescent probe.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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