5-(tert-Butyl)-2-ethylbenzoxazole
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Basic information
- CAS
1267427-47-3- Standard SMILES
CCc1nc2cc(C(C)(C)C)ccc2o1- InChIKey
WUTDIUFMMJPIQW-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 5-(tert-Butyl)-2-ethylbenzoxazole
- IUPAC
- 5-tert-butyl-2-ethyl-1,3-benzoxazole
- English name
- 5-(tert-Butyl)-2-ethylbenzoxazole
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
5-(tert-Butyl)-2-ethylbenzoxazole1267427-47-35-TERT-BUTYL-2-ETHYL-1,3-BENZOXAZOLEMFCD193752985-(Tert-butyl)-2-ethylbenzo[d]oxazoleBenzoxazole, 5-(1,1-dimethylethyl)-2-ethyl-SCHEMBL21341477AC3579AKOS022469032DA-17643SY018730CS-0360622
Database identifiers
- CAS
1267427-47-3- PubChem CID
- 77231585
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
Related reactions
0 records
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Compound notes
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