| CAS Number | 2096336-27-3 |
| Catalog Number | AG01EHFB |
| Chemical Name | 4-(Cyclopentyloxy)-3,5-difluoro-2-methylphenylboronic acid |
| IUPAC Name | (4-cyclopentyloxy-3,5-difluoro-2-methylphenyl)boronic acid |
| InChI | InChI=1S/C12H15BF2O3/c1-7-9(13(16)17)6-10(14)12(11(7)15)18-8-4-2-3-5-8/h6,8,16-17H,2-5H2,1H3 |
| InChI Key | BMKLLRBRMAQTHG-UHFFFAOYSA-N |
| MDL Number | MFCD20441798 |
| Molecular Formula | C12H15BF2O3 |
| Molecular Weight | 256.0535 |
| SMILES | Fc1cc(B(O)O)c(c(c1OC1CCCC1)F)C |
| Synonyms | 4-(Cyclopentyloxy)-3,5-difluoro-2-methylphenylboronic acid,
2096336-27-3,
(4-(Cyclopentyloxy)-3,5-difluoro-2-methylphenyl)boronic acid,
MFCD20441798,
ZINC169955293,
Y2639,
B-9550,
C12H15BF2O3,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.056g/mol |
| Monoisotopic Mass | 256.108g/mol |
| Rotatable Bond Count | 3 |
| 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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