Quinazoline, 6-chloro-2-(3-nitrophenyl)-4-phenyl-
Basic information
- CAS
49797-14-0- Standard SMILES
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1- InChIKey
XCMRGKYGKQOYTF-UHFFFAOYSA-N- Molecular formula
- C20H12ClN3O2
- Average molar mass
- 361.8 g/mol
- Monoisotopic mass
- 361.0618043
Names & identifiers
- Preferred name
- Quinazoline, 6-chloro-2-(3-nitrophenyl)-4-phenyl-
- IUPAC
- 6-chloro-2-(3-nitrophenyl)-4-phenylquinazoline
Names & synonyms
6-Chloro-2-(3-nitrophenyl)-4-phenylquinazoline49797-14-0BRN 5611906Quinazoline, 6-chloro-2-(3-nitrophenyl)-4-phenyl-DTXSID80198070RefChem:378406DTXCID10120561
Database identifiers
- CAS
49797-14-0- PubChem CID
- 206385
- DTXSID
DTXSID80198070- Nikkaji
- J3.663.103A
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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