| CAS Number | 868272-84-8 |
| Catalog Number | AG003J2T(AGN-PC-0V8P4K) |
| Chemical Name | (3-Bromo-5-fluoro-2-propoxyphenyl)boronic acid |
| IUPAC Name | (3-bromo-5-fluoro-2-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C9H11BBrFO3/c1-2-3-15-9-7(10(13)14)4-6(12)5-8(9)11/h4-5,13-14H,2-3H2,1H3 |
| InChI Key | XOBLNJQYFCQQTQ-UHFFFAOYSA-N |
| MDL Number | MFCD07369707 |
| Molecular Formula | C9H11BBrFO3 |
| Molecular Weight | 276.8952 |
| SMILES | CCCOC1=C(Br)C=C(F)C=C1B(O)O |
| Synonyms | 3-Bromo-5-fluoro-2-propoxyphenylboronic acid,
868272-84-8,
(3-Bromo-5-fluoro-2-propoxyphenyl)boronic acid,
ACMC-209qbl,
SCHEMBL12260209,
CTK5F7237,
DTXSID30584287,
ANW-38383,
MFCD07369707,
AKOS015834068,
ZINC169876964,
AB32178,
RTR-027023,
BP-11417,
PC430501,
X2534,
I04-1800,
Boronic acid,B-(3-bromo-5-fluoro-2-propoxyphenyl)-,
C9H11BBrFO3,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.896g/mol |
| Monoisotopic Mass | 275.997g/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
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