| CAS Number | 1793003-51-6 |
| Catalog Number | AG00HZXR |
| Chemical Name | 3-Chloro-4-fluoro-5-(2-methylpropoxy)phenylboronic acid |
| IUPAC Name | [3-chloro-4-fluoro-5-(2-methylpropoxy)phenyl]boronic acid |
| InChI | InChI=1S/C10H13BClFO3/c1-6(2)5-16-9-4-7(11(14)15)3-8(12)10(9)13/h3-4,6,14-15H,5H2,1-2H3 |
| InChI Key | JFJZOURFXZQHDI-UHFFFAOYSA-N |
| MDL Number | MFCD20529449 |
| Molecular Formula | C10H13BClFO3 |
| Molecular Weight | 246.4708 |
| SMILES | CC(COc1cc(cc(c1F)Cl)B(O)O)C |
| Synonyms | 3-Chloro-4-fluoro-5-(2-methylpropoxy)phenylboronic acid,
1793003-51-6,
MFCD20529449,
ZINC169955453,
Y2538,
B-9642,
C10H13BClFO3,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.469g/mol |
| Monoisotopic Mass | 246.063g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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