Basic information
- CAS
63467-98-1- Standard SMILES
CC[n+]1c(C)oc2ccc(-c3ccccc3)cc21- InChIKey
RCJIJPZYPFGZEW-UHFFFAOYSA-N- Molecular formula
- C16H16NO+
- Average molar mass
- 238.3 g/mol
- Monoisotopic mass
- 238.12318913
Names & identifiers
- Preferred name
- 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium
- IUPAC
- 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium
- English name
- 3-Ethyl-2-methyl-5-phenylbenzoxazolium
- Molecular weight
- 0
Names & synonyms
3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-iumDTXSID40276060STK367809AKOS00073236863467-98-13-Ethyl-2-methyl-5-phenylbenzoxazolium3-Ethyl-2-methyl-5-phenylbenzoxazol-3-ium
Database identifiers
- CAS
63467-98-1- PubChem CID
- 108641
- DTXSID
DTXSID40276060- Nikkaji
- J423.126K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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