| CAS Number | 1313738-12-3 |
| Catalog Number | AG01DTS3(AGN-PC-03PP1G) |
| Chemical Name | (3-Fluoro-4-(methoxymethyl)phenyl)boronic acid |
| IUPAC Name | [3-fluoro-4-(methoxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C8H10BFO3/c1-13-5-6-2-3-7(9(11)12)4-8(6)10/h2-4,11-12H,5H2,1H3 |
| InChI Key | PSLUSKRGWJLDQM-UHFFFAOYSA-N |
| MDL Number | MFCD14687259 |
| Molecular Formula | C8H10BFO3 |
| Molecular Weight | 183.9726 |
| SMILES | FC=1C=C(C=CC1COC)B(O)O |
| Synonyms | (3-Fluoro-4-(methoxymethyl)phenyl)boronic acid,
1313738-12-3,
[3-fluoro-4-(methoxymethyl)phenyl]boronic acid,
SCHEMBL7020409,
MFCD14687259,
AKOS010795164,
ZINC197329130,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.973g/mol |
| Monoisotopic Mass | 184.071g/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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