N-(2-(3-Bromophenyl)benzo[d]oxazol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-imine
Basic information
- CAS
330681-66-8- Standard SMILES
O=[N+]([O-])c1cccc(C=CC=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1- InChIKey
SVVNCOSUAMKAGP-UHFFFAOYSA-N- Molecular formula
- C22H14BrN3O3
- Average molar mass
- 448.3 g/mol
- Monoisotopic mass
- 447.02185
Names & identifiers
- Preferred name
- N-(2-(3-Bromophenyl)benzo[d]oxazol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-imine
- IUPAC
- N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-imine
- English name
- 2-(3-bromophenyl)-5-[(3-{3-nitrophenyl}-2-propenylidene)amino]-1,3-benzoxazole
- Molecular formula
- C22H14BrN3O3
- Molecular weight
- 448.27
Names & synonyms
N-(2-(3-Bromophenyl)benzo[d]oxazol-5-yl)-3-(3-nitrophenyl)prop-2-en-1-imine330681-66-85-Benzoxazolamine, 2-(3-bromophenyl)-N-[3-(3-nitrophenyl)-2-propen-1-ylidene]-2-(3-bromophenyl)-5-[(3-{3-nitrophenyl}-2-propenylidene)amino]-1,3-benzoxazole
Database identifiers
- CAS
330681-66-8- PubChem CID
- 3095661
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 623
Physicochemical properties
- Boiling point
- 594.2 · 594.2±50.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 5.36 · 5.36±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…