Benzoxazole, 2-(4-chloro-3-nitrophenyl)-
Basic information
- CAS
32058-60-9- Standard SMILES
O=[N+]([O-])c1cc(-c2nc3ccccc3o2)ccc1Cl- InChIKey
VIWOIEIZTTXVGY-UHFFFAOYSA-N- Molecular formula
- C13H7ClN2O3
- Average molar mass
- 274.66 g/mol
- Monoisotopic mass
- 274.0145198
Names & identifiers
- Preferred name
- Benzoxazole, 2-(4-chloro-3-nitrophenyl)-
- IUPAC
- 2-(4-chloro-3-nitrophenyl)-1,3-benzoxazole
Names & synonyms
Benzoxazole, 2-(4-chloro-3-nitrophenyl)-R 68732058-60-92-(4-Chloro-3-nitrophenyl)benzoxazoleBRN 0673889DTXSID50185871RefChem:328257DTXCID901083622-(4-chloro-3-nitrophenyl)-1,3-benzoxazole
Database identifiers
- CAS
32058-60-9- PubChem CID
- 208374
- DTXSID
DTXSID50185871- Nikkaji
- J3.147.812J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…