| CAS Number | 1256360-20-9 |
| Catalog Number | AG009IPY(AGN-PC-0WAA7U) |
| Chemical Name | 4-Chloro-2-fluoro-5-hydroxyphenylboronic acid pinacol ester |
| IUPAC Name | 2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
| InChI | InChI=1S/C12H15BClFO3/c1-11(2)12(3,4)18-13(17-11)7-5-10(16)8(14)6-9(7)15/h5-6,16H,1-4H3 |
| InChI Key | JDESJLFMWPMJMY-UHFFFAOYSA-N |
| MDL Number | MFCD16295125 |
| Molecular Formula | C12H15BClFO3 |
| Molecular Weight | 272.5081 |
| SMILES | CC1(C)OB(OC1(C)C)c1cc(O)c(cc1F)Cl |
| Synonyms | 1256360-20-9,
4-Chloro-2-fluoro-5-hydroxyphenylboronic acid pinacol ester,
2-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol,
C12H15BClFO3,
DTXSID30682338,
MFCD16295125,
AKOS022184188,
ZINC169936335,
FCH2831311,
AK-85313,
PC412297,
X0461,
B-2687,
4-Chloro-2-fluoro-5-hydroxyphenylboronic acid, pinacol ester,
JDESJLFMWPMJMY-UHFFFAOYSA-N,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.507g/mol |
| Monoisotopic Mass | 272.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number