Basic information
- CAS
872495-78-8- Standard SMILES
OB(c1ccc(Cl)cc1)c1cc(F)cc(F)c1- InChIKey
CVHJJYLLXFUDPG-UHFFFAOYSA-N- Molecular formula
- C12H8BClF2O
- Average molar mass
- 252.45 g/mol
- Monoisotopic mass
- 252.0324791
Names & identifiers
- Preferred name
- (4-Chlorophenyl)(3,5-difluorophenyl)borinic acid
- IUPAC
- (4-chlorophenyl)-(3,5-difluorophenyl)borinic acid
Names & synonyms
872495-78-8(4-Chlorophenyl)(3,5-difluorophenyl)(hydroxy)borane(4-chlorophenyl)(3,5-difluorophenyl)borinic acidDTXSID90740266
Database identifiers
- CAS
872495-78-8- PubChem CID
- 69337357
- DTXSID
DTXSID90740266
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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