| CAS Number | 1430237-54-9 |
| Catalog Number | AG00HWS2 |
| Chemical Name | 4-Chloro-3-(hydroxymethyl)phenylboronic acid |
| IUPAC Name | [4-chloro-3-(hydroxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H8BClO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,10-12H,4H2 |
| InChI Key | QYYROAZVVUGRER-UHFFFAOYSA-N |
| MDL Number | MFCD28122667 |
| Molecular Formula | C7H8BClO3 |
| Molecular Weight | 186.4006 |
| SMILES | OCc1cc(ccc1Cl)B(O)O |
| Synonyms | 4-Chloro-3-(hydroxymethyl)phenylboronic acid,
1430237-54-9,
ZINC216699752,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.398g/mol |
| Monoisotopic Mass | 186.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number