4'-Amino-3'-fluoro[1,1'-biphenyl]-3-carbaldehyde
Basic information
- CAS
893738-05-1- Standard SMILES
Nc1ccc(-c2cccc(C=O)c2)cc1F- InChIKey
ZSTCFZNDWHYJCL-UHFFFAOYSA-N- Molecular formula
- C13H10FNO
- Average molar mass
- 215.22 g/mol
- Monoisotopic mass
- 215.07464211
Names & identifiers
- Preferred name
- 4'-Amino-3'-fluoro[1,1'-biphenyl]-3-carbaldehyde
- IUPAC
- 3-(4-amino-3-fluorophenyl)benzaldehyde
- English name
- 4'-AMINO-3'-FLUORO[1,1'-BIPHENYL]-3-CARBALDEHYDE
- Molecular formula
- C13H10FNO
- Molecular weight
- 215.22
Names & synonyms
4'-Amino-3'-fluoro[1,1'-biphenyl]-3-carbaldehyde893738-05-14'-amino-3'-fluoro-[1,1'-biphenyl]-3-carbaldehydeSCHEMBL29955854DTXSID901229070AKOS004117001H894414a(2)-Amino-3a(2)-fluoro[1,1a(2)-biphenyl]-3-carboxaldehydeAKOS BAR-1723[1,1′-Biphenyl]-3-carboxaldehyde, 4′-amino-3′-fluoro-
Database identifiers
- CAS
893738-05-1- PubChem CID
- 20100282
- DTXSID
DTXSID901229070
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 368.394 · 368.394±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.6 · 2.600±0.10(predicted)
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Compound notes
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