| CAS Number | 1451390-95-6 |
| Catalog Number | AG00HXDA |
| Chemical Name | 2,4-Difluoro-3-isopropoxyphenylboronic acid |
| IUPAC Name | (2,4-difluoro-3-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C9H11BF2O3/c1-5(2)15-9-7(11)4-3-6(8(9)12)10(13)14/h3-5,13-14H,1-2H3 |
| InChI Key | LTXLJWCQTYVYCS-UHFFFAOYSA-N |
| MDL Number | MFCD19981529 |
| Molecular Formula | C9H11BF2O3 |
| Molecular Weight | 215.9896 |
| SMILES | c1(c(ccc(c1F)B(O)O)F)OC(C)C |
| Synonyms | 2,4-Difluoro-3-isopropoxyphenylboronic acid,
1451390-95-6,
AKOS026673454,
ZINC169955565,
BC001438,
Z1269,
B-9257,
C9H11BF2O3,
(2,4-difluoro-3-isopropoxyphenyl)boronic acid,
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.076931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.99g/mol |
| Monoisotopic Mass | 216.076931g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number