1256345-60-4

1 2D Structure

1256345-60-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-fluoro-6-hydroxyphenyl)boronic acid

2.1.2 InChI

InChI=1S/C6H6BFO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9-11H

2.1.3 InChI Key

FPXQHZPCFRQWCP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B(C1=C(C=CC=C1F)O)(O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1256345-60-4

2. (2-fluoro-6-hydroxyphenyl)boronic Acid

3. Boronic Acid, B-(2-fluoro-6-hydroxyphenyl)-

4. Mfcd17214242

5. (2-fluoro-6-hydroxyphenyl)boronicacid

6. Amy165

7. Schembl15475873

8. Dtxsid80681533

9. Fpxqhzpcfrqwcp-uhfffaoysa-n

10. Zb0260

11. Akos015853280

12. Ds-17595

13. Sy226646

14. Cs-0043300

15. W13758

16. A890145

2.3 Create Date

2011-06-21

3 Chemical and Physical Properties

Molecular Formula	C₆H₆BFO₃
Molecular Weight	155.92 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	60.7
Heavy Atom Count	11
Formal Charge	0
Complexity	133
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

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