Basic information
- Standard SMILES
C=CCc1ccc(C(=O)Nc2ccc3c(c2)B(O)OC3(C)C)c(Cl)c1- InChIKey
JOFDERQYEVPKGP-UHFFFAOYSA-N- Molecular formula
- C19H19BClNO3
- Average molar mass
- 355.6 g/mol
- Monoisotopic mass
- 355.1146513
Names & identifiers
- Preferred name
- 4-Allyl-2-chloro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-benzamide
- IUPAC
- 2-chloro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-4-prop-2-enylbenzamide
Names & synonyms
SCHEMBL2308849JOFDERQYEVPKGP-UHFFFAOYSA-N4-Allyl-2-chloro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-benzamide
Database identifiers
- PubChem CID
- 67358296
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
- 515
Related reactions
1 records
Compound notes
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