| CAS Number | 2096336-18-2 |
| Catalog Number | AG01EHIK |
| Chemical Name | 2-Fluoro-3-isopropoxy-5-methylphenylboronic acid |
| IUPAC Name | (2-fluoro-5-methyl-3-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C10H14BFO3/c1-6(2)15-9-5-7(3)4-8(10(9)12)11(13)14/h4-6,13-14H,1-3H3 |
| InChI Key | QFGYOSZZKDRXGM-UHFFFAOYSA-N |
| MDL Number | MFCD19981515 |
| Molecular Formula | C10H14BFO3 |
| Molecular Weight | 212.0258 |
| SMILES | OB(C1=CC(C)=CC(OC(C)C)=C1F)O |
| Synonyms | 2-Fluoro-3-isopropoxy-5-methylphenylboronic acid,
2096336-18-2,
(2-Fluoro-3-isopropoxy-5-methylphenyl)boronic acid,
MFCD19981515,
AKOS027363730,
ZINC169955212,
Y2329,
B-9288,
C10H14BFO3,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.027g/mol |
| Monoisotopic Mass | 212.102g/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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