| CAS Number | 750585-61-6 |
| Catalog Number | AG00ICLF(AGN-PC-0INA7J) |
| Chemical Name | (3-Chloro-2,4-dimethoxyphenyl)boronic acid |
| IUPAC Name | (3-chloro-2,4-dimethoxyphenyl)boronic acid |
| InChI | InChI=1S/C8H10BClO4/c1-13-6-4-3-5(9(11)12)8(14-2)7(6)10/h3-4,11-12H,1-2H3 |
| InChI Key | ANGLQGBCFZWGHY-UHFFFAOYSA-N |
| MDL Number | MFCD23379571 |
| Molecular Formula | C8H10BClO4 |
| Molecular Weight | 216.4266 |
| SMILES | COc1c(Cl)c(OC)ccc1B(O)O |
| Synonyms | (3-chloro-2,4-dimethoxyphenyl)boronic acid,
750585-61-6,
SCHEMBL6828237,
ZINC170000991,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.424g/mol |
| Monoisotopic Mass | 216.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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