Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester
Basic information
- CAS
1645-30-3- Standard SMILES
O=C(COC(=O)c1ccccc1F)c1ccc(Br)cc1- InChIKey
IHLBMPXALSKGPK-UHFFFAOYSA-N- Molecular formula
- C15H10BrFO3
- Average molar mass
- 337.14 g/mol
- Monoisotopic mass
- 335.97973
Names & identifiers
- Preferred name
- Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 2-fluorobenzoate
Names & synonyms
1645-30-3Benzoic acid, 2-fluoro-, 2-(4-bromophenyl)-2-oxoethyl ester2-(4-bromophenyl)-2-oxoethyl 2-fluorobenzoate[2-(4-bromophenyl)-2-oxoethyl] 2-fluorobenzoateCBDivE_005542DTXSID20353666AKOS001017731SR-01000198614SR-01000198614-1Z19798506
Database identifiers
- CAS
1645-30-3- PubChem CID
- 747772
- DTXSID
DTXSID20353666
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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