| CAS Number | 1072951-88-2 |
| Catalog Number | AG003N43(AGN-PC-0WABTS) |
| Chemical Name | 6-Bromo-3-butoxy-2-fluorophenylboronic acid |
| IUPAC Name | (6-bromo-3-butoxy-2-fluorophenyl)boronic acid |
| InChI | InChI=1S/C10H13BBrFO3/c1-2-3-6-16-8-5-4-7(12)9(10(8)13)11(14)15/h4-5,14-15H,2-3,6H2,1H3 |
| InChI Key | FMTVZGMUUYBHRB-UHFFFAOYSA-N |
| MDL Number | MFCD08276825 |
| Molecular Formula | C10H13BBrFO3 |
| Molecular Weight | 290.9218 |
| SMILES | CCCCOc1ccc(c(c1F)B(O)O)Br |
| Synonyms | 1072951-88-2,
6-Bromo-3-butoxy-2-fluorophenylboronic acid,
(6-Bromo-3-butoxy-2-fluorophenyl)boronic acid,
ACMC-2098tv,
CTK4A5308,
DTXSID50584764,
ANW-15713,
MFCD08276825,
AKOS015835379,
ZINC169903705,
RTR-001647,
PC412242,
AX8254783,
TR-001647,
Z7090,
I04-1807,
C10H13BBrFO3,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.923g/mol |
| Monoisotopic Mass | 290.013g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.7A^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