2,4-Difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol - CAS 1451391-16-4
Catalog: |
BB062931 |
Product Name: |
2,4-Difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
CAS: |
1451391-16-4 |
Synonyms: |
2,4-DIFLUORO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL; 3,5-DIFLUORO-2-HYDROXYPHENYLBORONIC ACID PINACOL ESTER |
IUPAC Name: | 2,4-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
Description: | 2,4-Difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
Molecular Weight: | 256.05 |
Molecular Formula: | C12H15BF2O3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2O)F)F |
InChI: | InChI=1S/C12H15BF2O3/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(15)10(8)16/h5-6,16H,1-4H3 |
InChI Key: | LXRKTJYRVGXRII-UHFFFAOYSA-N |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.1082308 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.1082308 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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