5-Benzofuranol, 4-(benzylaminomethyl)-2-bromo-3-phenyl-
Basic information
- CAS
100347-62-4- Standard SMILES
Oc1ccc2oc(Br)c(-c3ccccc3)c2c1CNCc1ccccc1- InChIKey
YGSQRCUTRBEXNJ-UHFFFAOYSA-N- Molecular formula
- C22H18BrNO2
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 407.05209
Names & identifiers
- Preferred name
- 5-Benzofuranol, 4-(benzylaminomethyl)-2-bromo-3-phenyl-
- IUPAC
- 4-[(benzylamino)methyl]-2-bromo-3-phenyl-1-benzofuran-5-ol
- English name
- 5-Benzofuranol, 4-(benzylaminomethyl)-2-bromo-3-phenyl-
- Molecular formula
- C22H18BrNO2
- Molecular weight
- 408.29
Names & synonyms
100347-62-45-BENZOFURANOL, 4-(BENZYLAMINOMETHYL)-2-BROMO-3-PHENYL-4-(Benzylaminomethyl)-2-bromo-3-phenyl-5-benzofuranol2-Bromo-3-phenyl-4-benzylaminomethyl-5-hydroxybenzofuranDTXSID70143211RefChem:301234DTXCID70657024-[(benzylamino)methyl]-2-bromo-3-phenyl-1-benzofuran-5-ol4-[(Benzylamino)methyl]-2-bromo-3-phenyl-1-benzo[b]furan-5-ol2-Bromo-3-phenyl-4-[(phenylmethylamino)methyl]-1-benzofuran-5-ol5-Benzofuranol, 2-bromo-3-phenyl-4-[[(phenylmethyl)amino]methyl]-
Database identifiers
- CAS
100347-62-4- PubChem CID
- 57800
- DTXSID
DTXSID70143211- Nikkaji
- J71.543C
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Boiling point
- 545.3 · 545.3±50.0 °C(Predicted)
- Density
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- pka
- 8.74 · 8.74±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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