Basic information
- CAS
425378-90-1- Standard SMILES
N#Cc1ccccc1-c1cccc(B(O)O)c1F- InChIKey
PODKTOWRSBFDPR-UHFFFAOYSA-N- Molecular formula
- C13H9BFNO2
- Average molar mass
- 241.03 g/mol
- Monoisotopic mass
- 241.0710369
Names & identifiers
- Preferred name
- (2'-Cyano-2-fluoro-[1,1'-biphenyl]-3-yl)boronic acid
- IUPAC
- [3-(2-cyanophenyl)-2-fluorophenyl]boronic acid
- English name
- 2'-Cyano-2-fluorobiphenyl-3-ylboronic acid
- Molecular formula
- C13H9BFNO2
- Molecular weight
- 241.03
Names & synonyms
425378-90-1(2'-Cyano-2-fluoro-[1,1'-biphenyl]-3-yl)boronic acid2'-cyano-2-fluorobiphenyl-3-boronic acid{2'-cyano-2-fluoro-[1,1'-biphenyl]-3-yl}boronic acid2'-CYANO-2-FLUOROBIPHENYL-3-YLBORONIC ACIDstarbld0019587SCHEMBL2650373DTXSID20469938PODKTOWRSBFDPR-UHFFFAOYSA-N(2'-Cyano-2-Fluoro-3-Biphenylyl)Boronic Acid(2'-Cyano-2-fluoro[1,1'-biphenyl]-3-yl)boronic acidBoronic acid, (2'-cyano-2-fluoro[1,1'-biphenyl]-3-yl)- (9CI)
Database identifiers
- CAS
425378-90-1- PubChem CID
- 11644397
- DTXSID
DTXSID20469938
Properties
Computed structural properties
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Chemistry & industry
Suppliers1 total
MILESTONE[email protected]
Related reactions
6 records
Compound notes
Loading…