| CAS Number | 2096332-12-4 |
| Catalog Number | AG01EHHS |
| Chemical Name | 3-Chloro-2-fluoro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester |
| IUPAC Name | methyl 3-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C14H17BClFO4/c1-13(2)14(3,4)21-15(20-13)9-6-8(12(18)19-5)7-10(16)11(9)17/h6-7H,1-5H3 |
| InChI Key | GWNVQZMLGUYNGG-UHFFFAOYSA-N |
| MDL Number | MFCD22375097 |
| Molecular Formula | C14H17BClFO4 |
| Molecular Weight | 314.5448 |
| SMILES | COC(=O)c1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)Cl)F |
| Synonyms | 3-Chloro-2-fluoro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester,
2096332-12-4,
Methyl 3-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
MFCD22375097,
ZINC216455084,
N/A,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.544g/mol |
| Monoisotopic Mass | 314.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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