2-Iodo-1-(1h-pyrrol-2-yl)ethanone
Basic information
- CAS
55984-20-8- Standard SMILES
O=C(CI)c1ccc[nH]1- InChIKey
NISYNPCUTHPSJA-UHFFFAOYSA-N- Molecular formula
- C6H6INO
- Average molar mass
- 235.02 g/mol
- Monoisotopic mass
- 234.94941
Names & identifiers
- Preferred name
- 2-Iodo-1-(1h-pyrrol-2-yl)ethanone
- IUPAC
- 2-iodo-1-(1H-pyrrol-2-yl)ethanone
- English name
- Ethanone,2-iodo-1-(1H-pyrrol-2-yl)-
- Molecular formula
- C6H6INO
- Molecular weight
- 235.02241
Names & synonyms
55984-20-82-iodo-1-(1h-pyrrol-2-yl)ethanone2-iodo-1-(1H-pyrrol-2-yl)ethan-1-oneNSC102015Ethanone,2-iodo-1-(1H-pyrrol-2-yl)-SCHEMBL11572549DTXSID50295444FCA98420NSC-102015SB63716DS-010930EN300-246580
Database identifiers
- CAS
55984-20-8- PubChem CID
- 265688
- DTXSID
DTXSID50295444- EC Number
- 194-769-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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