3-(4-bromo-3-nitrophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
Basic information
- CAS
5601-85-4- Standard SMILES
O=[N+]([O-])c1cc(C=CC=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)ccc1Br- InChIKey
WUOBQAOAAGJHGR-UHFFFAOYSA-N- Molecular formula
- C22H12BrCl2N3O3
- Average molar mass
- 517.2 g/mol
- Monoisotopic mass
- 514.94391
Names & identifiers
- Preferred name
- 3-(4-bromo-3-nitrophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
- IUPAC
- 3-(4-bromo-3-nitrophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
Names & synonyms
3-(4-bromo-3-nitrophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine5601-85-4AC1MJS3XDTXSID20389187(1E)-3-(4-Bromo-3-nitrophenyl)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
Database identifiers
- CAS
5601-85-4- PubChem CID
- 3097129
- DTXSID
DTXSID20389187
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 691
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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