| CAS Number | 1309980-99-1 |
| Catalog Number | AG000V96(AGN-PC-0WC0II) |
| Chemical Name | 6-Bromo-2-fluoro-3-hydroxyphenylboronic acid |
| IUPAC Name | (6-bromo-2-fluoro-3-hydroxyphenyl)boronic acid |
| InChI | InChI=1S/C6H5BBrFO3/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,10-12H |
| InChI Key | BTRGQSVQZIGVLU-UHFFFAOYSA-N |
| MDL Number | MFCD12026728 |
| Molecular Formula | C6H5BBrFO3 |
| Molecular Weight | 234.8155 |
| SMILES | c1(ccc(c(c1F)B(O)O)Br)O |
| Synonyms | 1309980-99-1,
(6-Bromo-2-fluoro-3-hydroxyphenyl)boronic acid,
6-bromo-2-fluoro-3-hydroxyphenylboronic acid,
2-Fluoro-3-hydroxy-6-bromophenylboronic acid,
CTK7I2560,
DTXSID90659405,
MFCD12026728,
AKOS015853374,
ZINC169748160,
FCH1409451,
BC001767,
AX8281423,
TR-057629,
BB 0261714,
ST24034907,
Z0059,
Q-8769,
I04-0827,
Boronic acid, B-(6-bromo-2-fluoro-3-hydroxyphenyl)-,
C6H5BBrFO3,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.815g/mol |
| Monoisotopic Mass | 233.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.7A^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