1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

2.1.2 InChI

InChI=1S/C12H16BFO3/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7,15H,1-4H3

2.1.3 InChI Key

GXNDNRWVVOKEBG-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 1534369-41-9

2. 870-646-3

3. 3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

4. Mfcd16994234

5. 2-fluoro-6-hydroxyphenylboronic Acid Pinacol Ester

6. Schembl21458742

7. Schembl31483909

8. At10820

9. Mb15166

10. Ps-17784

11. Sy254113

12. Db-395017

13. Cs-0112416

14. (2-fluoro-6-hydroxyphenyl)boronic Acid Pinacol Ester

2.3 Create Date

2013-12-27

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₆BFO₃
Molecular Weight	238.06 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	38.7
Heavy Atom Count	17
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 1534369-41-9