| CAS Number | 1793003-67-4 |
| Catalog Number | AG00HZXY |
| Chemical Name | 3-Butoxy-2-fluoro-4-methoxyphenylboronic acid |
| IUPAC Name | (3-butoxy-2-fluoro-4-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C11H16BFO4/c1-3-4-7-17-11-9(16-2)6-5-8(10(11)13)12(14)15/h5-6,14-15H,3-4,7H2,1-2H3 |
| InChI Key | JHHOSSQJCLRWNZ-UHFFFAOYSA-N |
| MDL Number | MFCD20231452 |
| Molecular Formula | C11H16BFO4 |
| Molecular Weight | 242.0517 |
| SMILES | CCCCOc1c(OC)ccc(c1F)B(O)O |
| Synonyms | 3-Butoxy-2-fluoro-4-methoxyphenylboronic acid,
1793003-67-4,
MFCD20231452,
ZINC169955548,
Y2497,
B-9404,
C11H16BFO4,
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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 | 242.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.053g/mol |
| Monoisotopic Mass | 242.113g/mol |
| Rotatable Bond Count | 6 |
| 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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