| CAS Number | 2096330-12-8 |
| Catalog Number | AG01EHKN |
| Chemical Name | [2-Chloro-5-methoxy-4-(trifluoromethoxy)phenyl]boronic acid |
| IUPAC Name | [2-chloro-5-methoxy-4-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C8H7BClF3O4/c1-16-6-2-4(9(14)15)5(10)3-7(6)17-8(11,12)13/h2-3,14-15H,1H3 |
| InChI Key | NXEVTVKKAKXECU-UHFFFAOYSA-N |
| MDL Number | MFCD21609540 |
| Molecular Formula | C8H7BClF3O4 |
| Molecular Weight | 270.3980 |
| SMILES | COc1cc(B(O)O)c(cc1OC(F)(F)F)Cl |
| Synonyms | [2-Chloro-5-methoxy-4-(trifluoromethoxy)phenyl]boronic acid,
2096330-12-8,
(2-Chloro-5-methoxy-4-(trifluoromethoxy)phenyl)boronic acid,
C8H7BClF3O4,
MFCD21609540,
ZINC169964790,
V9980,
B-9782,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.395g/mol |
| Monoisotopic Mass | 270.008g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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