| SKU | Size | Availability | Price | Qty |
|---|---|---|---|---|
| C180653-1g | 1g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $117.90 |
| Synonyms | 1256355-04-0 | 4-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID | (4-Chloro-2-isopropoxyphenyl)boronic acid | (4-chloro-2-propan-2-yloxyphenyl)boronic acid | (4-Chloro-2-isopropoxyphenyl)boronicacid | DTXSID50681707 | MFCD17015770 | AKOS015850130 | BS-19797 | CS-0174751 | FT-0706774 | |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
| IUPAC Name | (4-chloro-2-propan-2-yloxyphenyl)boronic acid |
|---|---|
| INCHI | InChI=1S/C9H12BClO3/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6,12-13H,1-2H3 |
| InChi Key | YIGSWKJVDNWHFS-UHFFFAOYSA-N |
| Canonical SMILES | B(C1=C(C=C(C=C1)Cl)OC(C)C)(O)O |
| Isomeric SMILES | B(C1=C(C=C(C=C1)Cl)OC(C)C)(O)O |
| Molecular Weight | 214.5 |
| Reaxy-Rn | 40797385 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40797385&ln= |
| Molecular Weight | 214.450 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 214.057 Da |
| Monoisotopic Mass | 214.057 Da |
| Topological Polar Surface Area | 49.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 177.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| Signal | Warning |
|---|---|
| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed |
| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. |
| Reaxy-Rn | 40797385 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40797385&ln= |
