Basic information
- CAS
352519-68-7- Standard SMILES
COc1cc(Cl)cc(C=Nc2ccc3oc(-c4ccc(C)c(Br)c4)nc3c2)c1O- InChIKey
ARNKAIMCSMKGMR-UHFFFAOYSA-N- Molecular formula
- C22H16BrClN2O3
- Average molar mass
- 471.7 g/mol
- Monoisotopic mass
- 470.00328
Names & identifiers
- Preferred name
- 2-({[2-(3-Bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-6-methoxyphenol
- IUPAC
- 2-[[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-6-methoxyphenol
- English name
- 2-({[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-6-methoxyphenol
- Molecular formula
- C22H16BrClN2O3
- Molecular weight
- 471.73
Names & synonyms
2-({[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-6-methoxyphenolOprea1_6894252-(((2-(3-Bromo-4-methylphenyl)benzo[d]oxazol-5-yl)imino)methyl)-4-chloro-6-methoxyphenol352519-68-7AG-690/344670112-[[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-6-methoxyphenol
Database identifiers
- CAS
352519-68-7- PubChem CID
- 1730192
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- Boiling point
- 591.715 · 591.715±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.51 · 1.510±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.087 · 8.087±0.50(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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