Basic information
- CAS
49797-13-9- Standard SMILES
O=[N+]([O-])c1ccc(Oc2cccc(-c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)c2)cc1- InChIKey
SZRKXFLEHJHBBK-UHFFFAOYSA-N- Molecular formula
- C26H16ClN3O3
- Average molar mass
- 453.9 g/mol
- Monoisotopic mass
- 453.0880191
Names & identifiers
- Preferred name
- Quinazoline, 6-chloro-2-(3-(4-nitrophenoxy)phenyl)-4-phenyl-
- IUPAC
- 6-chloro-2-[3-(4-nitrophenoxy)phenyl]-4-phenylquinazoline
Names & synonyms
Quinazoline, 6-chloro-2-(3-(4-nitrophenoxy)phenyl)-4-phenyl-6-Chloro-2-(3-(4-nitrophenoxy)phenyl)-4-phenylquinazoline49797-13-9DTXSID701980696-chloro-2-[3-(4-nitrophenoxy)phenyl]-4-phenylquinazolineRefChem:378404DTXCID50120560
Database identifiers
- CAS
49797-13-9- PubChem CID
- 206384
- DTXSID
DTXSID70198069
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 647
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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