2,4-Diiodo-6-({[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenol
Basic information
- CAS
479349-15-0- Standard SMILES
Cc1ccc2oc(-c3ccc(N=Cc4cc(I)cc(I)c4O)c(C)c3)nc2c1- InChIKey
VBFDHLSBVRDRGW-UHFFFAOYSA-N- Molecular formula
- C22H16I2N2O2
- Average molar mass
- 594.2 g/mol
Names & identifiers
- Preferred name
- 2,4-Diiodo-6-({[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenol
- IUPAC
- 2,4-diiodo-6-[[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
- English name
- 2,4-diiodo-6-({[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenol
- Molecular formula
- C22H16I2N2O2
- Molecular weight
- 594.18
Names & synonyms
2,4-diiodo-6-({[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenolAKOS000518392ST50745273AG-690/091760512,4-diiodo-6-[[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol2-{(1E)-2-[2-methyl-4-(5-methylbenzoxazol-2-yl)phenyl]-2-azavinyl}-4,6-diiodop henol
Database identifiers
- CAS
479349-15-0
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Boiling point
- 592.494 · 592.494±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.861 · 1.861±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.142 · 6.142±0.48(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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