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Also known as: 1414356-30-1, 2-fluoro-4-phenoxyphenylboronic acid, Mfcd29047683, (2-fluoro-4-phenoxyphenyl)-boronic acid, Schembl13857858, Pslvpuazlinpdi-uhfffaoysa-n
Molecular Formula
C12H10BFO3
Molecular Weight
232.02  g/mol
InChI Key
PSLVPUAZLINPDI-UHFFFAOYSA-N

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 Weight 232.02 g/mol
Molecular Formula C12H10BFO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area49.7
Heavy Atom Count17
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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