Benzoxazole, 2-hexyl-
Basic information
- CAS
6797-16-6- Standard SMILES
CCCCCCc1nc2ccccc2o1- InChIKey
JQHDCQOQCPLIKR-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- Benzoxazole, 2-hexyl-
- IUPAC
- 2-hexyl-1,3-benzoxazole
- English name
- 2-Hexylbenzoxazole
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
BENZOXAZOLE, 2-HEXYL-2-n-Hexyl-benzoxazoleBRN 01379796797-16-6DTXSID802181614-27-00-01127 (Beilstein Handbook Reference)RefChem:328270DTXCID001406522-Hexylbenzoxazole2-hexyl-1,3-benzoxazoleSCHEMBL5547331SCHEMBL28018181
Database identifiers
- CAS
6797-16-6- PubChem CID
- 23240
- DTXSID
DTXSID80218161- Nikkaji
- J41.886B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Chemistry & industry
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Compound notes
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