2-(Benzyloxy)-4-fluoro-5-methylphenylboronic acid
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Basic information
- CAS
2096331-49-4- Standard SMILES
Cc1cc(B(O)O)c(OCc2ccccc2)cc1F- InChIKey
YYDQCNDNFRBVGM-UHFFFAOYSA-N- Molecular formula
- C14H14BFO3
- Average molar mass
- 260.07 g/mol
- Monoisotopic mass
- 260.1020026
Names & identifiers
- Preferred name
- 2-(Benzyloxy)-4-fluoro-5-methylphenylboronic acid
- IUPAC
- (4-fluoro-5-methyl-2-phenylmethoxyphenyl)boronic acid
- English name
- 2-(Benzyloxy)-4-fluoro-5-methylphenylboronic acid
- Molecular formula
- C14H14BFO3
- Molecular weight
- 260.07
Names & synonyms
2-(Benzyloxy)-4-fluoro-5-methylphenylboronic acid2096331-49-4MFCD20231448(2-(Benzyloxy)-4-fluoro-5-methylphenyl)boronic acid[2-(benzyloxy)-4-fluoro-5-methylphenyl]boronic acidBS-34095CS-0178085E97896F623003(2-(Benzyloxy)-4-fluoro-5-methylphenyl)boronicacid(2-benzyloxy-4-fluoro-5-methyl-phenyl)boronic acid(4-fluoro-5-methyl-2-phenylmethoxyphenyl)boronic acid
Show more names
Boronic acid, B-[4-fluoro-5-methyl-2-(phenylmethoxy)phenyl]-
Database identifiers
- CAS
2096331-49-4- PubChem CID
- 56776600
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 429.3 · 429.3±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 8.76 · 8.76±0.53(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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