| CAS Number | 1704063-98-8 |
| Catalog Number | AG00ARP1(AGN-PC-0WCTRJ) |
| Chemical Name | {4-fluoro-3-[(propan-2-yloxy)methyl]phenyl}boronic acid |
| IUPAC Name | [4-fluoro-3-(propan-2-yloxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H14BFO3/c1-7(2)15-6-8-5-9(11(13)14)3-4-10(8)12/h3-5,7,13-14H,6H2,1-2H3 |
| InChI Key | PEFYBLKXYIMKRY-UHFFFAOYSA-N |
| MDL Number | MFCD28805682 |
| Molecular Formula | C10H14BFO3 |
| Molecular Weight | 212.0258 |
| SMILES | B(c1ccc(c(c1)COC(C)C)F)(O)O |
| Synonyms | 1704063-98-8,
4-fluoro-3-(isopropoxymethyl)phenylboronic acid,
(4-fluoro-3-(isopropoxymethyl)phenyl)boronic acid,
MFCD28805682,
ZINC230527421,
AM87712,
AS-55342,
{4-fluoro-3-[(propan-2-yloxy)methyl]phenyl}boronic acid,
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| Complexity | 190 |
| 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 | 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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