Basic information
- Standard SMILES
CCCc1ccc(C(=O)Nc2ccc3c(c2)B(O)OC3(C)C)c(Cl)c1- InChIKey
ABTAWMRFRNRWAS-UHFFFAOYSA-N- Molecular formula
- C19H21BClNO3
- Average molar mass
- 357.6 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-4-propyl-benzamide
- IUPAC
- 2-chloro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-4-propylbenzamide
Names & synonyms
SCHEMBL2314215ABTAWMRFRNRWAS-UHFFFAOYSA-N2-Chloro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-4-propyl-benzamide
Database identifiers
- PubChem CID
- 67360419
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 489
Related reactions
1 records
Compound notes
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