3-Chloro-5-ethoxy-4-isopropoxyphenylboronic acid
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Basic information
- CAS
1701449-15-1- Standard SMILES
CCOc1cc(B(O)O)cc(Cl)c1OC(C)C- InChIKey
KTZJZSPROBKOSX-UHFFFAOYSA-N- Molecular formula
- C11H16BClO4
- Average molar mass
- 258.51 g/mol
- Monoisotopic mass
- 258.0830168
Names & identifiers
- Preferred name
- 3-Chloro-5-ethoxy-4-isopropoxyphenylboronic acid
- IUPAC
- (3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)boronic acid
- English name
- 3-Chloro-5-ethoxy-4-isopropoxyphenylboronic acid
- Molecular formula
- C11H16BClO4
- Molecular weight
- 258.51
Names & synonyms
3-Chloro-5-ethoxy-4-isopropoxyphenylboronic acid1701449-15-1MFCD20529442(3-Chloro-5-ethoxy-4-isopropoxyphenyl)boronic acid(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)boronic acidSCHEMBL16654669BS-31237CS-0178297(3-Chloro-5-ethoxy-4-isopropoxyphenyl)boronicacid(3-chloro-5-ethoxy-4-isopropoxy-phenyl)boronic acidBoronic acid, B-[3-chloro-5-ethoxy-4-(1-methylethoxy)phenyl]-
Database identifiers
- CAS
1701449-15-1- PubChem CID
- 56776635
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 397.7 · 397.7±52.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 7.34 · 7.34±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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