Basic information
- CAS
7598-27-8- Standard SMILES
O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1- InChIKey
UYVBQHDPGPQTCJ-UHFFFAOYSA-N- Molecular formula
- C22H17BrO3
- Average molar mass
- 409.3 g/mol
- Monoisotopic mass
- 408.03611
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl diphenylacetate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 2,2-diphenylacetate
- English name
- 2-(4-bromophenyl)-2-oxoethyl diphenylacetate
- Molecular formula
- C22H17BrO3
- Molecular weight
- 409.27258
Names & synonyms
2-(4-bromophenyl)-2-oxoethyl diphenylacetate7598-27-8DTXSID90323316RefChem:252004DTXCID90274435[2-(4-bromophenyl)-2-oxoethyl] 2,2-diphenylacetateNSC403573Oprea1_045573Oprea1_264128CBDivE_001289STK070960AKOS001704146
Show more names
Benzeneacetic acid, α-phenyl-, 2-(4-bromophenyl)-2-oxoethyl ester
NSC-403573ST45157819AG-690/40097230SR-010005135642-(4-bromophenyl)-2-oxoethyl 2,2-diphenylacetateSR-01000513564-1
Database identifiers
- CAS
7598-27-8- PubChem CID
- 345793
- DTXSID
DTXSID90323316
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Melting point
- 112 °C · 112 °C
- Boiling point
- 528.3 · 528.3±45.0 °C(Predicted)
- Density
- 1.372 · 1.372±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
Loading…