Basic information
- Standard SMILES
N#Cc1ccccc1OB(O)O- InChIKey
IOUACEWMCNVNEL-UHFFFAOYSA-N- Molecular formula
- C7H6BNO3
- Average molar mass
- 162.94 g/mol
- Monoisotopic mass
- 163.0440732
Names & identifiers
- Preferred name
- 2-Cyano-phenylboric acid
- IUPAC
- (2-cyanophenoxy)boronic acid
Names & synonyms
2-cyano-phenylboric acid(2-cyanophenoxy)boronic acidSCHEMBL1372811SCHEMBL30517279IOUACEWMCNVNEL-UHFFFAOYSA-N686717-53-3
Database identifiers
- PubChem CID
- 21708089
Properties
Computed structural properties
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Related reactions
25 records
Compound notes
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