| CAS Number | 2096329-68-7 |
| Catalog Number | AG01EHJV |
| Chemical Name | 2,4-Difluoro-3-propoxyphenylboronic acid |
| IUPAC Name | (2,4-difluoro-3-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C9H11BF2O3/c1-2-5-15-9-7(11)4-3-6(8(9)12)10(13)14/h3-4,13-14H,2,5H2,1H3 |
| InChI Key | BUFQSDWLWIWVKM-UHFFFAOYSA-N |
| MDL Number | MFCD19981527 |
| Molecular Formula | C9H11BF2O3 |
| Molecular Weight | 215.9896 |
| SMILES | OB(C1=CC=C(F)C(OCCC)=C1F)O |
| Synonyms | 2,4-Difluoro-3-propoxyphenylboronic acid,
2096329-68-7,
(2,4-difluoro-3-propoxyphenyl)boronic acid,
MFCD19981527,
ZINC169955559,
Y2221,
B-9255,
C9H11BF2O3,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.991g/mol |
| Monoisotopic Mass | 216.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number