| CAS Number | 1451393-48-8 |
| Catalog Number | AG00HXDX |
| Chemical Name | 2-Bromo-3-trifluoromethylphenylboronic acid |
| IUPAC Name | [2-bromo-3-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H5BBrF3O2/c9-6-4(7(10,11)12)2-1-3-5(6)8(13)14/h1-3,13-14H |
| InChI Key | DGEDEAVZOHLRDU-UHFFFAOYSA-N |
| MDL Number | MFCD11111902 |
| Molecular Formula | C7H5BBrF3O2 |
| Molecular Weight | 268.8236 |
| SMILES | B(c1cccc(c1Br)C(F)(F)F)(O)O |
| Synonyms | 2-Bromo-3-trifluoromethylphenylboronic acid,
1451393-48-8,
(2-Bromo-3-(trifluoromethyl)phenyl)boronic acid,
MFCD11111902,
AKOS022181638,
ZINC169978243,
BC001797,
Z1307,
B-8756,
C7H5BBrF3O2,
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.824g/mol |
| Monoisotopic Mass | 267.952g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number