Basic information
- CAS
121177-85-3- Standard SMILES
CCCCCCCCNC(=O)c1ccc(B(O)O)cc1- InChIKey
MUPZUTBMHLCTMG-UHFFFAOYSA-N- Molecular formula
- C15H24BNO3
- Average molar mass
- 277.17 g/mol
- Monoisotopic mass
- 277.1849238
Names & identifiers
- Preferred name
- (4-(Octylcarbamoyl)phenyl)boronic acid
- IUPAC
- [4-(octylcarbamoyl)phenyl]boronic acid
Names & synonyms
(4-(Octylcarbamoyl)phenyl)boronic acid121177-85-3[4-(Octylcarbamoyl)phenyl]boronic acidDTXSID601241293I81999Boronic acid, [4-[(octylamino)carbonyl]phenyl]-
Database identifiers
- CAS
121177-85-3- PubChem CID
- 85594641
- DTXSID
DTXSID601241293
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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