| CAS Number | 1334171-29-7 |
| Catalog Number | AG01DTPV(AGN-PC-0ANT2J) |
| Chemical Name | [3-fluoro-4-(thiomorpholin-4-ylmethyl)phenyl]boronic acid |
| IUPAC Name | [3-fluoro-4-(thiomorpholin-4-ylmethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H15BFNO2S/c13-11-7-10(12(15)16)2-1-9(11)8-14-3-5-17-6-4-14/h1-2,7,15-16H,3-6,8H2 |
| InChI Key | RVUUKKSHFHMIJV-UHFFFAOYSA-N |
| MDL Number | MFCD16198148 |
| Molecular Formula | C11H15BFNO2S |
| Molecular Weight | 255.1167 |
| SMILES | C(c1c(F)cc(cc1)B(O)O)N1CCSCC1 |
| Synonyms | 1334171-29-7,
AKOS005974322,
AS-55410,
[3-fluoro-4-(thiomorpholin-4-ylmethyl)phenyl]boronic acid,
{3-fluoro-4-[(thiomorpholin-4-yl)methyl]phenyl}boronic acid,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.114g/mol |
| Monoisotopic Mass | 255.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number