2-Isobutylbenzoxazole
Basic information
- CAS
6797-50-8- Standard SMILES
CC(C)Cc1nc2ccccc2o1- InChIKey
ZORIKMFUXMCILS-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Overview
See also: Benzoxazole, 2-(2-methylpropyl)- (annotation moved to).
Names & identifiers
- Preferred name
- 2-Isobutylbenzoxazole
- IUPAC
- 2-(2-methylpropyl)-1,3-benzoxazole
- English name
- 2-isobutylbenzoxazole
- Molecular formula
- C11H13NO
- Molecular weight
- 175.22702
Names & synonyms
2-Isobutylbenzoxazole6797-50-82-(2-methylpropyl)-1,3-benzoxazoleEINECS 229-870-1SCHEMBL5535411SCHEMBL5535419SCHEMBL7336063DTXSID00218163ZORIKMFUXMCILS-UHFFFAOYSA-NNS000363282-(2-Methylpropyl)benzoxazoleBenzoxazole, 2-(2-methylpropyl)-
Database identifiers
- CAS
6797-50-8- PubChem CID
- 81252
- DTXSID
DTXSID00218163- EC Number
- 229-870-1
- Nikkaji
- J298.120C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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