| CAS Number | 1256354-97-8 |
| Catalog Number | AG000O2X(AGN-PC-0WAA6P) |
| Chemical Name | 4-Chloro-2-(2-Methoxyethoxy)Phenylboronic Acid |
| IUPAC Name | [4-chloro-2-(2-methoxyethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C9H12BClO4/c1-14-4-5-15-9-6-7(11)2-3-8(9)10(12)13/h2-3,6,12-13H,4-5H2,1H3 |
| InChI Key | CLYQTKHBUWZDKT-UHFFFAOYSA-N |
| MDL Number | MFCD17015763 |
| Molecular Formula | C9H12BClO4 |
| Molecular Weight | 230.4532 |
| SMILES | COCCOc1cc(Cl)ccc1B(O)O |
| Synonyms | 1256354-97-8,
(4-Chloro-2-(2-methoxyethoxy)phenyl)boronic acid,
4-CHLORO-2-(2-METHOXYETHOXY)PHENYLBORONIC ACID,
[4-chloro-2-(2-methoxyethoxy)phenyl]boronic acid,
ACMC-209axs,
SCHEMBL15330282,
CTK4B4571,
DTXSID80681699,
ANW-18446,
MFCD17015763,
AKOS015850144,
ZINC169934499,
OR360530,
AX8236166,
TR-035229,
X1894,
I04-2546,
Boronic acid, B-[4-chloro-2-(2-methoxyethoxy)phenyl]-,
C9H12BClO4,
B-2748,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.451g/mol |
| Monoisotopic Mass | 230.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number