CAS 1414356-30-1

1 2D Structure

CAS 1414356-30-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-fluoro-4-phenoxyphenyl)boronic acid

2.1.2 InChI

InChI=1S/C12H10BFO3/c14-12-8-10(6-7-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,15-16H

2.1.3 InChI Key

PSLVPUAZLINPDI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B(C1=C(C=C(C=C1)OC2=CC=CC=C2)F)(O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1414356-30-1

2. 2-fluoro-4-phenoxyphenylboronic Acid

3. Mfcd29047683

4. (2-fluoro-4-phenoxyphenyl)-boronic Acid

5. Schembl13857858

6. Pslvpuazlinpdi-uhfffaoysa-n

7. (2-fluoro-4-phenoxyphenyl)boronicacid

8. (2-fluoro-4-phenoxy-phenyl)boronic Acid

9. Bs-43258

10. Sy324089

11. Cs-0184165

12. N11810

13. En300-1654987

14. A905296

2.3 Create Date

2013-03-21

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₀BFO₃
Molecular Weight	232.02 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.7
Heavy Atom Count	17
Formal Charge	0
Complexity	234
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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