| CAS Number | 2121512-87-4 |
| Catalog Number | AG01EHGC |
| Chemical Name | 3-Chloro-5-(hydroxymethyl)phenylboronic acid |
| IUPAC Name | [3-chloro-5-(hydroxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H8BClO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3,10-12H,4H2 |
| InChI Key | GAIOEGMKZDBACM-UHFFFAOYSA-N |
| MDL Number | MFCD22397986 |
| Molecular Formula | C7H8BClO3 |
| Molecular Weight | 186.4006 |
| SMILES | B(c1cc(cc(c1)Cl)CO)(O)O |
| Synonyms | 2121512-87-4,
5-chloro-3-(hydroxymethyl)phenylboronic acid,
(3-Chloro-5-(hydroxymethyl)phenyl)boronic acid,
3-CHLORO-5-(HYDROXYMETHYL)PHENYLBORONIC ACID,
MFCD22397986,
ZINC170019552,
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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
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