Basic information
- CAS
85093-34-1- Standard SMILES
O=c1[nH]c(=O)n(Cc2ccc(Br)cc2)cc1F- InChIKey
LZBNOKKOEUKELJ-UHFFFAOYSA-N- Molecular formula
- C11H8BrFN2O2
- Average molar mass
- 299.1 g/mol
- Monoisotopic mass
- 297.97532
Names & identifiers
- Preferred name
- Uracil, 1-(p-bromobenzyl)-5-fluoro-
- IUPAC
- 1-[(4-bromophenyl)methyl]-5-fluoropyrimidine-2,4-dione
- English name
- 1-(p-Bromobenzyl)-5-fluoro-uracil
- Molecular formula
- C11H8BrFN2O2
- Molecular weight
- 299.1
Names & synonyms
85093-34-1Uracil, 1-(p-bromobenzyl)-5-fluoro-1-(p-Bromobenzyl)-5-fluoro-uracilDTXSID402341802,4(1H,3H)-Pyrimidinedione, 1-((4-bromophenyl)methyl)-5-fluoro-RefChem:386947DTXCID401566711-(4-Bromobenzyl)-5-Fluoro-UracilAKOS0060374251-[(4-Bromophenyl)methyl]-5-fluoropyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-[(4-bromophenyl)methyl]-5-fluoro-
Database identifiers
- CAS
85093-34-1- PubChem CID
- 3069740
- DTXSID
DTXSID40234180- Nikkaji
- J61.756C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 146 · 146-147 °C(Solv: ethanol (64-17-5))
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- pka
- 7.8 · 7.80±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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