| CAS Number | 2096329-85-8 |
| Catalog Number | AG01EHM7 |
| Chemical Name | 3-Butoxy-2,4-difluoro-5-methylphenylboronic acid |
| IUPAC Name | (3-butoxy-2,4-difluoro-5-methylphenyl)boronic acid |
| InChI | InChI=1S/C11H15BF2O3/c1-3-4-5-17-11-9(13)7(2)6-8(10(11)14)12(15)16/h6,15-16H,3-5H2,1-2H3 |
| InChI Key | BWJVKSCSCMDKKR-UHFFFAOYSA-N |
| MDL Number | MFCD19981534 |
| Molecular Formula | C11H15BF2O3 |
| Molecular Weight | 244.0428 |
| SMILES | CCCCOc1c(F)c(C)cc(c1F)B(O)O |
| Synonyms | 3-Butoxy-2,4-difluoro-5-methylphenylboronic acid,
2096329-85-8,
(3-butoxy-2,4-difluoro-5-methylphenyl)boronic acid,
MFCD19981534,
AKOS027371469,
ZINC169955585,
Y2495,
B-9348,
C11H15BF2O3,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.045g/mol |
| Monoisotopic Mass | 244.108g/mol |
| Rotatable Bond Count | 5 |
| 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