Basic information
- CAS
55184-84-4- Standard SMILES
O=C(COC(=O)c1cccc(Cl)c1)c1ccccc1- InChIKey
KAMMMIHJXGVKOM-UHFFFAOYSA-N- Molecular formula
- C15H11ClO3
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.0396719
Names & identifiers
- Preferred name
- 2-Oxo-2-phenylethyl 3-chlorobenzoate
- IUPAC
- phenacyl 3-chlorobenzoate
- English name
- 3-Chlorobenzoic acid phenacyl ester
- Molecular formula
- C15H11ClO3
- Molecular weight
- 274.7
Names & synonyms
2-Oxo-2-phenylethyl 3-chlorobenzoate55184-84-4DTXSID30341074RefChem:264858DTXCID50292155Benzoic acid, 3-chloro-, 2-oxo-2-phenylethyl esterphenacyl 3-chlorobenzoate3-Chlorobenzoic acid phenacyl esterTimTec1_004471KAMMMIHJXGVKOM-UHFFFAOYSA-NHMS1546L05STK183748
Show more names
2-oxo-2-phenylethyl m-chlorobenzoate
AKOS0017452762-Oxo-2-phenylethyl 3-chlorobenzoate #DB-262228ST4040362AG-205/11373523SR-01000520940SR-01000520940-1
Database identifiers
- CAS
55184-84-4- PubChem CID
- 569802
- DTXSID
DTXSID30341074- Nikkaji
- J146.516C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 443.5 · 443.5±25.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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