4(1H)-Pyrimidinone, 2-((4-bromophenyl)methyl)-5-fluoro-
Basic information
- CAS
132901-23-6- Standard SMILES
O=c1[nH]c(Cc2ccc(Br)cc2)ncc1F- InChIKey
BORSFNUAOAYPJN-UHFFFAOYSA-N- Molecular formula
- C11H8BrFN2O
- Average molar mass
- 283.1 g/mol
- Monoisotopic mass
- 281.9804
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2-((4-bromophenyl)methyl)-5-fluoro-
- IUPAC
- 2-[(4-bromophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one
Names & synonyms
4(1H)-Pyrimidinone, 2-((4-bromophenyl)methyl)-5-fluoro-2-((4-Bromophenyl)methyl)-5-fluoro-4(1H)-pyrimidinone132901-23-6DTXSID60157847RefChem:283576DTXCID90803382-[(4-Bromophenyl)methyl]-5-fluoropyrimidin-4(3H)-one
Database identifiers
- CAS
132901-23-6- PubChem CID
- 3076948
- DTXSID
DTXSID60157847- Nikkaji
- J488.983E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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