Basic information
- CAS
728-22-3- Standard SMILES
COc1ccc(-c2onc3ccc(Cl)cc23)cc1- InChIKey
NDPZKSDUMMEMSO-UHFFFAOYSA-N- Molecular formula
- C14H10ClNO2
- Average molar mass
- 259.69 g/mol
- Monoisotopic mass
- 259.0400063
Names & identifiers
- Preferred name
- 5-Chloro-3-(4-methoxyphenyl)-2,1-benzoxazole
- IUPAC
- 5-chloro-3-(4-methoxyphenyl)-2,1-benzoxazole
- English name
- 5-chloro-3-(4-methoxyphenyl)benzo[c]isoxazole
- Molecular formula
- C14H10ClNO2
- Molecular weight
- 259.69
Names & synonyms
5-chloro-3-(4-methoxyphenyl)-2,1-benzoxazole728-22-3NSC4058975-Chloro-3-(4-methoxy-phenyl)-benzo[c]isoxazole5-CHLORO-3-(4-METHOXYPHENYL)BENZO[C]ISOXAZOLETimTec1_007134Oprea1_269299Oprea1_500315MLS000528570CHEMBL1330144DTXSID60324153NDPZKSDUMMEMSO-UHFFFAOYSA-N
Show more names
2,1-Benzisoxazole, 5-chloro-3-(4-methoxyphenyl)-
HMS1554E06HMS2326N11CCG-18256STK840107AKOS000714827NSC-405897SMR000118145EU-0007852
Database identifiers
- CAS
728-22-3- PubChem CID
- 347292
- DTXSID
DTXSID60324153- ChEMBL
CHEMBL1330144- Nikkaji
- J1.793.096F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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