| CAS Number | 1072951-48-4 |
| Catalog Number | AG007ES0(AGN-PC-0WA88W) |
| Chemical Name | 3-Bromo-5-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | [3-bromo-5-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C7H5BBrF3O3/c9-5-1-4(8(13)14)2-6(3-5)15-7(10,11)12/h1-3,13-14H |
| InChI Key | MRIQPQPZRLURMR-UHFFFAOYSA-N |
| MDL Number | MFCD11504853 |
| Molecular Formula | C7H5BBrF3O3 |
| Molecular Weight | 284.8230 |
| SMILES | FC(F)(F)OC1=CC(Br)=CC(B(O)O)=C1 |
| Synonyms | 1072951-48-4,
3-Bromo-5-(trifluoromethoxy)phenylboronic acid,
(3-Bromo-5-(trifluoromethoxy)phenyl)boronic acid,
[3-bromo-5-(trifluoromethoxy)phenyl]boronic acid,
ACMC-2098sx,
CTK4A5284,
DTXSID30674733,
ANW-15679,
MFCD11504853,
AKOS015834202,
ZINC169748110,
RTR-001614,
BC001663,
PC412041,
AX8217959,
TR-001614,
ST24034319,
Y3622,
A-4602,
I04-1786,
C7H5BBrF3O3,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.823g/mol |
| Monoisotopic Mass | 283.947g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number