| CAS Number | 1451393-13-7 |
| Catalog Number | AG01EHGZ |
| Chemical Name | 4-Chloro-2-fluoro-3-hydroxyphenylboronic acid |
| IUPAC Name | (4-chloro-2-fluoro-3-hydroxyphenyl)boronic acid |
| InChI | InChI=1S/C6H5BClFO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10-12H |
| InChI Key | CYFLEBLGQHFBBB-UHFFFAOYSA-N |
| MDL Number | MFCD19981522 |
| Molecular Formula | C6H5BClFO3 |
| Molecular Weight | 190.3645 |
| SMILES | c1(c(ccc(c1F)B(O)O)Cl)O |
| Synonyms | 4-Chloro-2-fluoro-3-hydroxyphenylboronic acid,
1451393-13-7,
(4-chloro-2-fluoro-3-hydroxyphenyl)boronic acid,
MFCD19981522,
AKOS027425705,
ZINC169955492,
Z1506,
B-9452,
C6H5BClFO3,
1451393-44-4,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.361g/mol |
| Monoisotopic Mass | 190g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number