Basic information
- CAS
4636-16-2- Standard SMILES
O=C(CI)c1ccccc1- InChIKey
CREOHKRPSSUXCW-UHFFFAOYSA-N- Molecular formula
- C8H7IO
- Average molar mass
- 246.04 g/mol
- Monoisotopic mass
- 245.95416284
Names & identifiers
- Preferred name
- Ethanone, 2-iodo-1-phenyl-
- IUPAC
- 2-iodo-1-phenylethanone
- English name
- 2-iodo-1-phenylethanone
- Molecular formula
- C8H7IO
- Molecular weight
- 246.05
Names & synonyms
Ethanone, 2-iodo-1-phenyl-4636-16-2DTXSID80196819RefChem:341434DTXCID701193102-IODOACETOPHENONE2-iodo-1-phenylethanonephenacyl iodide2-iodo-1-phenylethan-1-one2-iodo-1-phenyl-ethanoneSCHEMBL171752SCHEMBL9489397
Show more names
MFCD00972007SY573934
Database identifiers
- CAS
4636-16-2- PubChem CID
- 138307
- DTXSID
DTXSID80196819- Nikkaji
- J60.312K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 34.4 °C · 34.4°C
- Boiling point
- 158 · 158-160 °C(Press: 15 Torr)
- Density
- 1.7411 · 1.7411 (estimate)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
Syntechem Co.,Ltd[email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
3 records
Compound notes
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